[gmx-users] Re: snapshot

[Thomas Schlesier]

Hi,
the following:

trjconv -s md.tpr -f md.trr -o beta.gro -dt 250 -sep

should work.
-dt 250 ; write output every 250 ps
-sep ; to write each frame (but the output frequency gets overwritten by 
'-dt 250')

the additional use of '-dump x' might be the problem, since with '-dump 
x' GMX writes only the frame at time x

Greetings
Thomas


Am 15.07.2013 15:03, schrieb gmx-users-request at gromacs.org:
> Hi, The following command I used for the snapshots but I'm getting one
> frame time 0 time 500. what are the changes I need to do in the command
> to get snapshots in equal intervals of time for ex: 250ps. My production
> MD trajectory was 15ns. g_trjconv -s md.tpr -f md.trr -o beta.gro -skip
> 1 -dt 0 -dump 0 -sep Thanks in Advance. Rama On Mon, Jul 15, 2013 at
> 2:02 AM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:
>> >look for either "-dt" or "-skip".
>> >
>> >
>> >
>> >
>> >Dr. Vitaly V. Chaban
>> >
>> >
>> >On Mon, Jul 15, 2013 at 2:03 AM, Rama<ramkishna72 at gmail.com>  wrote:
>> >
>>> > >Hi,
>>> > >
>>> > >How to get a snapshots in equal intervals of time (250ps) from production
>>> > >MD
>>> > >trajectory. I'm using -sep , -t0, -timestep but output came only one .gro
>>> > >file.