[gmx-users] Adding residue to .rtp file
Raji
raji.phy at gmail.com
Wed Oct 3 23:16:12 CEST 2018
Hi
I would like to simulate a peptide, in which alkyl chain is covalently
linked with aminoacid. I have generated the topology for alkyl chain with
CGenFF and converted to CHARMM format. Now how to include this parameters
in the aminoacid rtp file. If the alkyl chain is bonded with aminoacid TYR,
do i need to add the alkyl chain parameters with TYR in rtp file as well
how to represent the bond formation between them.
Thanks
Raji
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