subject:"\[gmx\-users\] GROMOS 53A6 AND charmm36.ff"

Re: [gmx-users] GROMOS 53A6 AND charmm36.ff

2012-01-17 Thread Justin A. Lemkul

Magnus Andersson wrote: Hi all, I want to use the GROMOS 53A6 forcefield for the protein, water, ions. For the membrane I intend to use charmm36.ff. I downloaded the charmm36.ff and put the folder as a sub-folder in /sw/share/gromacs/top/ as suggested in the GROMACS manual. When I go: pd

[gmx-users] GROMOS 53A6 AND charmm36.ff

2012-01-17 Thread Magnus Andersson

Hi all, I want to use the GROMOS 53A6 forcefield for the protein, water, ions. For the membrane I intend to use charmm36.ff. I downloaded the charmm36.ff and put the folder as a sub-folder in /sw/share/gromacs/top/ as suggested in the GROMACS manual. When I go: pdb2gmx -f test.pdb -o -p -i -