[gmx-users] gmx conver-tpr error

Amali Guruge amaligg2010 at gmail.com
Wed May 30 14:59:45 CEST 2018


Dear Dr. Justin,

Thank you very much for the reply.
I'm sure, I used -extend for the gmx convert-tpr.

How can I solve this problem?
Appreciate, if you could help me.
Thank you.


On Wed, May 30, 2018 at 9:51 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 5/30/18 5:51 AM, Amali Guruge wrote:
>
>> Dear Gromacs users,
>>
>> I did a simulation for a 50 ns and I want to extend it  by anther 50 ns.
>> Therefore, I used the command,
>> gmx convert-tpr -s run01.tpr -extend 50000 -o run02.tpr
>> But I got the error, 'You've simulated long enough. Not writing tpr file.'
>>
>> How can I solve the problem?
>>
>
> Are you sure that was your exact command? You didn't accidentally type
> "-until" rather than "-extend" in your command? Any use of -extend
> shouldn't trigger that error, but -until would do exactly that in this
> instance.
>
> -Justin
>
> --
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>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
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