jayant_jacques wrote:
Hi!
I am attempting to simulate a protein with a modified amino acid using
the Gromacs force field with hydrogens for NMR. I have built the RTP and
TOP files using PRODRG.
I need to know what is the rtp file? relevant to the above force field
such that I can append my rtp file. Is it the ffgmx2.rtp or ffgmx.rtp?
See the PRODRG documentation and the GROMACS manual. Forcefield
selection should come before you do any other work.
Mark
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