GROMACS version: 2020.4
GROMACS modification: No
Hi,
I want to position restrain the CNT during production. I have encountered following error
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.
As far my understanding the position restraint file is generated in ,itp format. I have included and used the same in NVT and NPT equillibration. How can go about it?
Do I need to generate restraint.gro? If so then How?
Can I include the restraint.itp through -r?