[gmx-users] About extend npt

Mark Abraham mark.j.abraham at gmail.com
Wed Sep 14 19:45:09 CEST 2016


We need to see your actual copied and pasted command lines and error
messages before we can give feedback on what might be wrong.


On Wed, 14 Sep 2016 18:09 Poncho Arvayo Zatarain <poncho_8629 at hotmail.com>

> Hello. I did a 10 NPT but i want to extend to 50 ns and i´m using the
> command gmx_gpu tpbconv file.tpr -extend 50000 file02.tpr and mdrun -v
> deffnm file02 -cpi npt.cpi. In my folder i only have the npt.tpr that i
> think i should use as "tpr.file" but, what about file02.tpr and file02,
> should i use npt.tpr too? Also, i use npt02.tpr as file02 and file02.tpr
> but an error appears telling me that program can not run npt02.tpr but i
> think is because i only have npt.tpr. I´m using gromacs 5.04.
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