[gmx-users] About extend npt
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Wed Sep 14 19:08:26 CEST 2016
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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