Re: [gmx-users] fix COM of a group

Of Tsjerk Wassenaar Sent: Wednesday, 3 June 2015 5:41 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] fix COM of a group Hi Ming Tang, comm_mode = Linear comm_grps = CA Cheers, Tsjerk On Wed, Jun 3, 2015 at 9:34 AM, Ming Tang m21.t...@qut.edu.au wrote: Dear all

Re: [gmx-users] fix COM of a group

Of Tsjerk Wassenaar Sent: Wednesday, 3 June 2015 5:41 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] fix COM of a group Hi Ming Tang, comm_mode = Linear comm_grps = CA Cheers, Tsjerk On Wed, Jun 3, 2015 at 9:34 AM, Ming Tang m21.t...@qut.edu.au wrote: Dear all

[gmx-users] fix COM of a group

Dear all, Is there any method that can fix the center of mass of a group of atoms? I create a group containing CA atoms of the first residue in each of the three chains, and want to fix its center of mass only without freeze the CA atoms. Thanks. -- Gromacs Users mailing list * Please search

Re: [gmx-users] fix COM of a group

Hi Ming Tang, comm_mode = Linear comm_grps = CA Cheers, Tsjerk On Wed, Jun 3, 2015 at 9:34 AM, Ming Tang m21.t...@qut.edu.au wrote: Dear all, Is there any method that can fix the center of mass of a group of atoms? I create a group containing CA atoms of the first residue in each of the

Re: [gmx-users] fix COM of a group

Sent: Wednesday, 3 June 2015 5:41 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] fix COM of a group Hi Ming Tang, comm_mode = Linear comm_grps = CA Cheers, Tsjerk On Wed, Jun 3, 2015 at 9:34 AM, Ming Tang m21.t...@qut.edu.au wrote: Dear all, Is there any method