Hello everyone,
while running nvt equilibration i am getting the error as:
Cannot find position restraint file restraint.gro (option -r).
From GROMACS-2018, you need to specify the position restraint coordinate files
explicitly to avoid mistakes, although you can still use the same file as you
specify for the -c option.
how can i resolve this error...?
Hi,
The error is quite self-explanatory. If you use GROMACS 2018 or even its newer version, '-r' flag should be typed explicitly in the 'gmx grompp' command. The file can be the same as you give as the input for '-c' flag (.gro file). Further detail of how to use 'gmx grompp' in GROMACS 2018 including the '-c' and '-r' flags can be found here:
http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-grompp.html
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