From: Santanu Santra (santop420_at_gmail.com)
Date: Tue Dec 06 2016 - 23:00:04 CST
Hi all,
I am doing Namd simulation using gromos 43a1 ff for a protein in
water medium. I have generated *.gro , topol.top , *.itp files using gromos
43a1 ff. But when I am trying to do minimization using these files in namd
, I got the following error:
Warning: unknown mode position_restraints
Molecule Protein undefined.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: unexpected call to exit by user program. Must use CkExit, not exit!
Charm++ fatal error:
unexpected call to exit by user program. Must use CkExit, not exit!
Aborted (core dumped)
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
I want to know from all of you if any thing is required to correct my
error or the source of error. Any suggestion from anyone is highly
appreciated.
Thanks in advance.
My .conf file is attached.
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