Re: [gmx-users] Gromacs and CHARMM silicate force field

2012-01-23 Thread Mark Abraham
On 23/01/2012 5:38 PM, Gianluca Interlandi wrote: I would like to ask whether it is possible to use in Gromacs the CHARMM parameters for silicates. More generally, is it easy to convert CHARMM parameter and topology files to the gromacs format? Probably, and yes. You will need to read the

[gmx-users] Gromacs and CHARMM silicate force field

2012-01-22 Thread Gianluca Interlandi
I would like to ask whether it is possible to use in Gromacs the CHARMM parameters for silicates. More generally, is it easy to convert CHARMM parameter and topology files to the gromacs format? Thanks, Gianluca - Gianluca Interlandi,