From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon May 16 2016 - 02:45:55 CDT
Hello:
By using VMD in text mode (psfgen) with CHARMM36, I am getting error in MD
(NAMD2.11):
ERROR: Unable to find angleparams for CC CT1 NH2 (atoms 2971 2974 2980)
Actually, ID/atomtype is
2971 NH2
2974 CT1
2980 CC
for a CYS ligand made NH2 with PRES NNEU.
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In used top_all36_prot.prm, angleparams for
NH2 CC CT1
NH2 CC CT2
NH2 CC CT3
do exist.
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Thanks for advice
francesco pietra
Could the issue arise from having
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