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Tutorial-l Mailing List

From: Junichi Kishikawa (kishi.jun0724_at_gmail.com)
Date: Mon Feb 19 2018 - 01:10:31 CST

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Dear All,

I'm Jun, a beginner of VMD, namd and mdff.
I trained mdff with the mdff tutorial.

At Section 3, DFF with explicit solvent.
at last, I ran namd with a command as follow,

>namd2 adk-solvent-step1.namd > adk-solvent-step1.log

Then, I got error massage as follows:
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

Charm++ fatal error:
FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

What should I do?
I could not find the solution.

I'm using
VMD 1.9.3
NAMD 2.12 on CentOS 7

Best,

Jun

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• Next message: Resham Regmi: "calculation of Gibbs free energy"
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