From: Radak, Brian K (bradak_at_anl.gov)
Date: Wed Mar 30 2016 - 11:09:12 CDT
It looks like your PSF contains an angle that shouldn't exist. I would examine the connectivity in VMD and verify that your polymer (presumably your own RTF?) is correctly defined.
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From: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] on behalf of faride badalkhani [farideh.khamseh_at_gmail.com]
Sent: Wednesday, March 30, 2016 10:01 AM
Subject: Fwd: namd-l: problem with angle parameters
I am setting up a system consists of a polymer in water. When running the NVT simulation I get this error:
UNABLE TO FIND ANGLE PARAMETERS FOR CD OB CD (ATOMS 30 31 30)
while there should not be such angle in my structure. It is only a carbonyl group. Could you help me on that?
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