[gmx-users] Re: snapshot

[Rama Krishna Koppisetti]

Thanks *Thomas*




--Rama



On Mon, Jul 15, 2013 at 9:00 AM, Thomas Schlesier <schlesi at uni-mainz.de>wrote:

> 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.
>>>>
>>>
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