[gmx-users] compressed pbc box at the end of simulation - membrane protein with ligand

Prasanth G, Research Scholar prasanthghanta at sssihl.edu.in
Wed Jun 12 07:46:46 CEST 2019

Dear Bratin,

Thank you for your prompt response. would using an isotropic pcoupletype
have any effect on a membrane protein simulation?
If we provide same ref_p values for all three axis (as in the above case)in
a semiisotropic treatment, would this have the same effect as isotropic
I would be grateful if anyone can share the template of the mdp files for a
membrane protein simulation.

Thank you again.

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