GROMACS version:2020-5
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Here post your question
I have to simulate Cytochrome C with HEME group. I am trying using force-filed charmm36-feb2021. However, gmx pdb2gmx fails because it can’t, because it can not fix HEME group. The merged.rtp has parameters for Heme still it is not working.
Can some expert help me to fix this problem.
Best regards
Surya
Have you fixed this problem?
yes I could that. I shall be more than happy to help (if needed)
I would greatly appreciate it if you could share your approach to this issue, as I’ve been struggling with it for quite some time.