[gmx-developers] [PATCH] Fix atom names in gromos53a*.ff for CHCL3 and DMSO

Berk Hess hess at cbr.su.se
Wed Jun 2 17:40:02 CEST 2010


I fixed it.

Thanks,

Berk

Alexey Shvetsov wrote:
> Hi all!
> After atom types became case sensitive there were issues with CHCL3
> and DMSO for G53a{5,6} force fields
> Patch to fix it included see bug #424
> <http://bugzilla.gromacs.org/show_bug.cgi?id=424>
>
> -- 
> Best Regards,
> Alexey 'Alexxy' Shvetsov
> Petersburg Nuclear Physics Institute, Russia
> Department of Molecular and Radiation Biophysics
> Gentoo Team Ru
> Gentoo Linux Dev
> mailto:alexxyum at gmail.com <mailto:alexxyum at gmail.com>
> mailto:alexxy at gentoo.org <mailto:alexxy at gentoo.org>
> mailto:alexxy at omrb.pnpi.spb.ru <mailto:alexxy at omrb.pnpi.spb.ru>




More information about the gromacs.org_gmx-developers mailing list