[gmx-users] trjconv manipulation

Jian Zou zouj01 at mails.tsinghua.edu.cn
Wed Jun 15 12:18:43 CEST 2005

Anton wrote:

> Jian Zou wrote:
>> Anton wrote:
>>> Much easier is to use tpbconv. Give it a .trr, .edr and a .tpr file, and
>>> it will us the last frame in the .trr and .edr to create a new .tpr
>>> file, which you can use to continue your run as if nothing happened.
>> If I use afm pulling, should I write a new pull.ppa according to the new
>> position?
> I don't think so, since tpbconv writes a new starting time and initial
> step number to the .tpr file. So, I would expect the pulling to continue
> from the point where it left off before the crash. (But, I've never used
> pulling myself. Have you searched for this in the archive?)

I don't search the archive, but I did a test myself.

You are right, pulling will continue from the point.

That's wonderful!


Jian Zou

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