Hi everyone,
I have 250ns long simulations that I would like to extend for 250 ns more. I've been doing this for a while but this is the first time I got this error. I suspect that it is about using different Gromacs versions. But I'd like to know for sure.
Command line:
gmx convert-tpr -s CR2_unbound_fixed.tpr -until 500000 -o CR2_unbound_250_500ns.tpr
Reading toplogy and stuff from CR2_unbound_fixed.tpr
Reading file CR2_unbound_fixed.tpr, VERSION 2019.6 (single precision)
Note: file tpx version 116, software tpx version 119
nsteps = 125000000, run_step = 0, current_t = 0, until = 500000
Extending remaining runtime until 500000 ps (now 250000000 steps)
Writing statusfile with starting step 0 and length 250000000 steps...
time 0.000 and length 500000.000 ps
-------------------------------------------------------
Program: gmx convert-tpr, version 2020.4
Source file: src/gromacs/utility/futil.cpp (line 430)
File input/output error:
CR2_unbound_250_500ns.tpr
try using this command
gmx convert-tpr -s CR2_unbound_fixed.tpr -extend 250000 -o md-extend500.tpr
and finally run
gmx mdrun -v -s md-extend500.tpr -c md.gro -cpi state.cpt
Hope it will work..
Hi Tanuj Sharma ,
Thank you for your answer. I've solved the problem. It seems that my user account did not have the permission to edit files.
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