Re: [gmx-users] charmm in gromacs cut-offs

On 5/18/13 7:58 AM, tarak karmakar wrote: Dear All, It seems the problem in the cut-off schemes while using charmm force field in gromacs persists even in the latest gromacs-4.6.1 version. Recently I have posted regarding this problem came in gromacs-4.5.5 version. If anybody has already

[gmx-users] charmm in gromacs cut-offs

Dear All, It seems the problem in the cut-off schemes while using charmm force field in gromacs persists even in the latest gromacs-4.6.1 version. Recently I have posted regarding this problem came in gromacs-4.5.5 version. If anybody has already tested this issue in the latest version, please

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw

[gmx-users] charmm in gromacs cut-offs

Dear All, I'm using charmm force field for simulation of a protein ligand system. I have read the paper "implementation of charmm in gromacs by Bjelkmar, JCTC' They have used the following set up coulombtype = PME rcoulomb= 1.2 vdwtype = switch rvdw