[gmx-users] Charmm for Proteins

2012-09-13 Thread Steven Neumann
Dear All, Could you please write me which is the latest version of Charmm force field for proteins? I want to study protein folding in explicit solvent. Is it available in Gromacs? Steven -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users *

Re: [gmx-users] Charmm for Proteins

2012-09-13 Thread Peter C. Lai
charmm27 is the canonical charmm protein FF, which is supported by gromacs. Note that if you are using gromacs prior to 4.5.5 to use -nochargegrp when using pdb2gmx when parameterizing your protein. On 2012-09-13 04:19:16PM +0100, Steven Neumann wrote: Dear All, Could you please write me