[gmx-users] Using thermostats to create temperature gradient in system
agnivogromacs14 at gmail.com
Mon Apr 27 02:14:06 CEST 2015
Thanks to Dr. Lemkul for asking.
This is what I did to reach my present state :
(a) Prepared the topology of the system using GROMOS96 43a2 ff and energy
minimized the system after solvation using steepest descent algorithm.
(b) Did a position restrained ( protein ) 5 ns
2936 atoms are not part of any of the T-Coupling groups
For more information and tips for troubleshooting, please check the GROMACS
Thanks & Regards
Grad Student, Iowa State University.
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