Lee Soin wrote:
Hello, all!
Which option in .mdp file is used to specify position restraint and the
corresponding force constant?
In your topology, you should have something like:
#ifdef POSRES
#include "posre.itp"
#endif
The posre.itp file contains force constants; in the .mdp file you can "define =
-DPOSRES"
-Justin
--
Sun Li
Department of Physics
Nanjing University, China
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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