[gmx-users] Cannot find position restraint file restraint.gro (option -r).

Dilip H N cy16f01.dilip at nitk.edu.in
Sat Feb 10 09:21:20 CET 2018


1] I have installed the latest version of gromacs (gromacs 2018), and when
i give the command,
gmx grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr

I am getting the error as:
Program:     gmx grompp, version 2018
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2008)
Fatal error:
Cannot find position restraint file restraint.gro (option -r).
>From GROMACS-2018, you need to specify the position restraint coordinate
explicitly to avoid mistakes, although you can still use the same file as
specify for the -c option.

2] But if i give the same command (gmx grompp -f nvt.mdp -c em.gro -p topol.top
-o nvt.tpr) in gromacs 2016.2, the compilation is working fine without any

So, how should i define position restrains coordinates explicitly..??
how do i solve this issue..??

Any suggestions are appreciated.
With Best Regards,

Ph.D. Student

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