11, 2012 5:01 PM
Subject: Re: [gmx-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
on this list will be able to say
if some arbitrary time is sufficient.
-Justin
From: Justin Lemkul jalem...@vt.edu
To: Discussion list for GROMACS users gmx-users@gromacs.org
Sent: Tuesday, December 11, 2012 5:01 PM
Subject: Re: [gmx-users] gen-vel
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
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 list
The check point file you submit will have the velocity information.
On Tue, Dec 11, 2012 at 10:55 AM, Bahar Mehrpuyan
baharmehrpu...@yahoo.comwrote:
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
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