Hi,
The force field which I am using is CHARMM36. I added some new atom types to the atomtypes.atp . Then I need to change the nonbonded.itp file. Are the atom names are used in .itp files? So how I find a last-defined atom types in the .itp file? I just renamed some atomtypes and then added as the new atomtypes to .itp file, so I want to find a purposed atomtype and use its vdw parameter ( the same as what existed in .itp file.) Thanks in advance, Cheers, Shima -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
