Hey Justin
I'm not quite well-versed with the nvt.mdp file and its components. I'm
basically trying to simulate a 3 residue ( initial- AGI, middle- AGM, final
AGF) non protein homopolymer in CHARMM36 which requires changes to be
made in the nvt.mdp file accordingly. I'm attaching the .pdb, topol.
I was doing NVT simulations on a structure constituting of 3 monomers of
AGLC residue(glucose molecule) connected via 1-4 linkage.
Though I have modified my nvt.mdp file for CHARMM36 but still encountering
errors.
The following is the nvt.mdp and I am also attaching the topology file
topol.top with
jivesh.mad...@gmail.com
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