From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Tue Jun 20 2017 - 10:49:51 CDT
Could you be clearer as to what your question is? PBC options are the same as ever: make a box big enough to contain your system. If you use a barostat, make sure the flexiblecell and constantratio options are turned on, since this is still a membrane-embedded system. This doesn't change if your protein is above the membrane or embedded in it.
-Josh
On 06/20/2017 04:17 AM, Vidhya Sankar wrote:
Respected sir
I am doing simulation for insertion of Protein kept above the membrane along Z axis through all atom atomistic simulation
In My Configuration file
How to set Periodic boundary condition for my system normally in tutorial Protein packed inside membrane . But My case have protein kept above membrane
Any other way to set cell basis vector ?
I request your valuable suggestion
With Cheers
S.Vidhya sankar
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:23 CST