VMD-L Mailing List

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.
----------------------

Thanks for advice

francesco pietra

Could the issue arise from having