Re: [gmx-users] gen-vel=no

2012-12-12 Thread Justin Lemkul
on this list will be able to say if some arbitrary time is sufficient. -Justin From: Justin Lemkul To: Discussion list for GROMACS users Sent: Tuesday, December 11, 2012 5:01 PM Subject: Re: [gmx-users] gen-vel=no On 12/11/12 1:19 AM, Venkat Reddy wrote

Re: [gmx-users] gen-vel=no

2012-12-12 Thread Bahar Mehrpuyan
-users] gen-vel=no On 12/11/12 1:19 AM, Venkat Reddy wrote: > The check point file you submit will have the velocity information. > A checkpoint file is indeed a better set of information to pass to -t, but it is not clear if the OP even used -t in the invocation of grompp.  If not, there

Re: [gmx-users] gen-vel=no

2012-12-11 Thread Justin Lemkul
On 12/11/12 1:19 AM, Venkat Reddy wrote: The check point file you submit will have the velocity information. A checkpoint file is indeed a better set of information to pass to -t, but it is not clear if the OP even used -t in the invocation of grompp. If not, there will be a discontinuity

Re: [gmx-users] gen-vel=no

2012-12-10 Thread Venkat Reddy
The check point file you submit will have the velocity information. On Tue, Dec 11, 2012 at 10:55 AM, Bahar Mehrpuyan wrote: > hi gmx user > > I've done a production simulation with gen_vel= no, but in grompp I forgot > that use .trr file of equlibration simulation for initial velocities, > my q

[gmx-users] gen-vel=no

2012-12-10 Thread Bahar Mehrpuyan
hi gmx user I've done a production simulation with gen_vel= no, but in grompp I forgot that use .trr file of equlibration simulation for initial velocities,  my question is how gromacs treats with initial velocities  in this case? thanks in advance. -- gmx-users mailing listgmx-users@gromacs