On 6/20/13 5:01 PM, Hari Pandey wrote:
Hi ,
How do I solve this problem in GROMACS:
I have a system with 3 part A,B and C
I have to put thermostat for A and C but not for B.
Gromacs display error, what is temperature for B.
How do aI decouple part B
Per the manual:
"tau-t: [ps]
time constant for coupling (one for each group in tc-grps), -1 means no
temperature coupling"
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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