[gmx-users] ARGN

Dear Gromacs Users, Sorry for the repeated question, but I have some problems with ARGN. If I use ARGN in to PDB, pdb2gmx return this error: "[...] Source Code file: pgutil.c, line: 87 Fatal error: Atom NZ not found in residue 2 while adding improper" The residue 2 is an Arginine. The NZ atom

[gmx-users] S-S Bonds

Dear GROMACS Users, I want to do MD of insulin monomer (first two chain of 4ins.pdb). When I convert with pdb2gmx, the software find only one ss bond (the only inside the same chain). I have resolved this problem doing a first conversion pdb->gro, then gro->pdb end in the final conversion

[gmx-users] pdb2gmx and arginine

gromacs.org. I have downloaded the package, but the pdb2gmx.c(gromcas/ src/kernel/pdb2gmx.c) is different, it don't have the arginine manager code. Do Someone have some explanation? Thanks To All Roberto Marchese ___ gmx-users mailing listg