[gmx-users] trjconv during transfer of .trr

Johnny Lu johnny.lu128 at gmail.com
Sun Dec 14 23:58:25 CET 2014


seems to be fine for slurm resource manager... so far.

On Sun, Dec 14, 2014 at 5:50 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
>
> Alternatively, is there a way to quickly check how many ns or frames do a
> .trr file contain?
>
> On Sun, Dec 14, 2014 at 5:47 PM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
>>
>> Hi.
>>
>> Before the queue manager of the cluster finishes transferring the .trr
>> file to my homedirectory, if I start trjconv,
>> and trjconv finishes running (which takes about half an hour) after the
>> .trr file (6 GB) completes transferring to my home directory,
>>
>> will the converted .trr contains as many ns as the original .trr?
>>
>> I used trjconv to only get rid of the water in the .trr file.
>>
>>
>> Or... part of the .trr file will get chop off when i convert with trjconv?
>>
>>
>> Thank you for your help.
>>
>


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