Hi, On Fri, 28 Jul 2017 10:53 Souparno Adhikary <souparno...@gmail.com> wrote:
> Hi, > > I want to use the latest CHARMM36m force field which I downloaded from > MacKerell group's website. I use a common HPC system and do not have an > administrator account. > > Can you give me an idea how I can add this forcefield to the pdb2gmx > options? We are using quite an old version of GROMACS- 4.5.6 (I don't know > why they are not eager to update it). > The tools will find such force field folders when they are present in your working directory also. I forget whether such ancient versions have support for that. If nobody asks for a recent version of GROMACS, sysadmins are busy people and do other things with their time. Ask them ;-) Mark Thanks, > > Souparno Adhikary, > CHPC Lab, > Department of Microbiology, > University of Calcutta. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
