[gmx-users] CMAP request

Dear Paer, Thank you very much for your reply. MTSSL is not a peptide, but it was parameterized by some other group and we are trying to use the parameters. They have used CMAP for MTSSL. So we also want to take into account the CMAP in our gromacs calculations. I am not much familiar with git

[gmx-users] CMAP request

Hi Supid, We are trying to convert CHARMM force field for MTSSL (a small molecule which is used as EPR label) into gromacs format. But in CHARMM they have CMAP. I checked the gromacs mailing archive and found that there is a gromacs CVS where CMAP implementation is done. Yes, the code is in th

[gmx-users] CMAP request

Dear Users, We are trying to convert CHARMM force field for MTSSL (a small molecule which is used as EPR label) into gromacs format. But in CHARMM they have CMAP. I checked the gromacs mailing archive and found that there is a gromacs CVS where CMAP implementation is done. It will be ver