subject:"\[gmx\-users\] Virtual sites parameters"

Re: [gmx-users] Virtual sites parameters

2013-06-18 Thread Justin Lemkul

On 6/18/13 12:20 PM, Bastien Loubet wrote: Dear GROMACS user, I have been trying to define parameters for virtual sites in CHARMM lipid, and I would like to know if there is something simillar to the [ bondtypes ] for virtual sites. Specifically the way I specify the parameters now is by havin

[gmx-users] Virtual sites parameters

2013-06-18 Thread Bastien Loubet

Dear GROMACS user, I have been trying to define parameters for virtual sites in CHARMM lipid, and I would like to know if there is something simillar to the [ bondtypes ] for virtual sites. Specifically the way I specify the parameters now is by having lines in the topology such as (for a 3fout vi