tag:blogger.com,1999:blog-3060898714439566244.post5910577940426495740..comments2023-09-24T02:48:04.862-07:00Comments on Machine Phase: Single Wall Carbon Nanotubes in 4.0.3 GROMACS and Windows Vista Part 1Tomhttp://www.blogger.com/profile/01639800769521054448noreply@blogger.comBlogger13125tag:blogger.com,1999:blog-3060898714439566244.post-87529959798479038742017-10-30T01:39:13.177-07:002017-10-30T01:39:13.177-07:00Dear Sir,
Can you please answer this question.
Ho...Dear Sir,<br /><br />Can you please answer this question.<br />How Gromacs differentiate same atom pairs and bond length having different charges from info in Pdb files? For example?<br />For example OH of carboxyl group and Phenolic OH group has same atoms and bond length but slightly different charges.<br /><br />Regards<br />ChinmoyChinmoy Basakhttps://www.blogger.com/profile/11646387472663201880noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-82793955097565702982015-11-19T00:57:54.454-08:002015-11-19T00:57:54.454-08:00Nanotechnology employs knowledge from the fields o...Nanotechnology employs knowledge from the fields of physics, chemistry, biology, materials science, health sciences, and engineering. It has immense applications in almost all the fields of science and human life. Nanoparticles can be defined as particulate dispersions or solid particles with a size in the range of 10-1000nm, Please Visit www.nanoshel.com/product/soot-carbon-nanotubes/Hygenic Duvethttps://www.blogger.com/profile/12126953801945434020noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-90943327822427206612014-07-23T12:27:14.911-07:002014-07-23T12:27:14.911-07:00No, I have never tried that in GROMACS. Sorry. No, I have never tried that in GROMACS. Sorry. Tomhttps://www.blogger.com/profile/01639800769521054448noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-66123046657223277742014-07-23T04:00:11.154-07:002014-07-23T04:00:11.154-07:00Thanks tom. did you ever try simulating CNTs with ...Thanks tom. did you ever try simulating CNTs with a bio molecule(like protein or DNA)? <br />I am stuck with the topology file.Anonymoushttps://www.blogger.com/profile/02694093903588973338noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-18043394856341096642014-07-08T03:59:22.247-07:002014-07-08T03:59:22.247-07:00Hi, I tried to open the .mdp file using the link g...Hi, I tried to open the .mdp file using the link given, but was unable to open it. Will it be possible for you to provide me with the correct link.<br /><br />Thanks<br />SukritiAnonymoushttps://www.blogger.com/profile/16314288053871797488noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-21997890228653974692014-06-21T05:19:35.165-07:002014-06-21T05:19:35.165-07:00Thanks, akari. That is a good point. I think you a...Thanks, akari. That is a good point. I think you are correct that it should contain a torsion parameter.Tomhttps://www.blogger.com/profile/01639800769521054448noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-88845184109097269292014-06-15T07:19:02.473-07:002014-06-15T07:19:02.473-07:00that really nice. i was wondering if the dihedralt...that really nice. i was wondering if the dihedraltypes directive is 100% correct or not. so far as i know, it should contain the torsion parameters. i am also having some problems with this directive.Anonymoushttps://www.blogger.com/profile/02694093903588973338noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-74537590773991165472011-12-17T00:03:26.474-08:002011-12-17T00:03:26.474-08:00Swnt are very useful material for new researches.<a href="http://www.nanoshel.com/nanoshel_carbon_nanotubes.php?product=SWCNT_SWCNT-1" rel="nofollow">Swnt</a> are very useful material for new researches.nanohttps://www.blogger.com/profile/08201881916654320961noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-4129476073853865522011-06-29T14:25:22.873-07:002011-06-29T14:25:22.873-07:00Thanks for the kind words. No, I have never done a...Thanks for the kind words. No, I have never done anything with TiO2 systems, sounds interesting though.Tomhttps://www.blogger.com/profile/01639800769521054448noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-35525868306280584542011-06-29T11:17:11.645-07:002011-06-29T11:17:11.645-07:00This is a really a nice blog. I am able to try an...This is a really a nice blog. I am able to try and test it successfully in Gromacs 4.5.4 under Linux. I am also interested in MD of TiO2 nanotubes. Have you done any work in TiO2 systems?Anonymoushttps://www.blogger.com/profile/10021946140793118707noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-30383307139829066352009-11-22T05:32:14.639-08:002009-11-22T05:32:14.639-08:00This comment has been removed by a blog administrator.Anonymousnoreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-76451594289127621572009-11-14T10:20:51.285-08:002009-11-14T10:20:51.285-08:00Why don't you try a shorter integration step?
...Why don't you try a shorter integration step?<br /><br />Better forcefield parameters would do fine too.Elton Carvalhohttps://www.blogger.com/profile/15583779579651147544noreply@blogger.comtag:blogger.com,1999:blog-3060898714439566244.post-55162483636814495302009-06-11T23:22:32.673-07:002009-06-11T23:22:32.673-07:00dude! that is freaky spooky looking. My imaginatio...dude! that is freaky spooky looking. My imagination is all warped and illuminated by that animation, thanks!Guyhttps://www.blogger.com/profile/12623342498696677919noreply@blogger.com