Dear sir，
Thanks a lot for your reply!
Linchengong
>On Saturday 13 May 2006 07:33, Linchen Gong wrote:
>
>> I have another question concerning about trjconv. Is anyway to make
>> trjconv uninteractive, e.g. do not have to choose selected group to output
>> or fit interactively. Since I'm using gromacs in a cluster and must bsub
>> jobs to queue, I don't know how to handle interactive option. Thanks a lot！
>
>Create a shell script and submit that to the queue. The people that manage
>your cluster have probably created some examples how to do this. A simple
>example of such a script:
>
>#!/bin/csh -f
>
>~/cvs/release-3-3-patches/gmx/src/tools/trjconv -s topol.tpr -f traj.trr -o
>traj.pdb << EOF
>0
>EOF
>
>Where the 0 indicates the group you want. Normally you have to add some queue
>specific variables to the script.
>
>--
>Groeten,
>
>Paul
= = = = = = = = = = = = = = = = = = = =
致
礼！
Linchen Gong
[EMAIL PROTECTED]
2006-05-13
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