Chitrita Dutta Roy wrote:
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Program grompp, VERSION 4.0.2
Source code file: readir.c, line: 1050
Fatal error:
2 atoms are not part of any of the T-Coupling groups
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Even the .top file was also modified to include extra Na+.
This has nothing to do with the .top, and everything to do with what you have
specified in your tc-grps. You're missing something, so check carefully!
-Justin
Please help to get a solution.
Chitrita..
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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