Hi all,
I am trying to calculate order parameter for DPPC monolayer using
do-order-milti.py script.Actually, the monolayer consists of 716 CG DPPC
and 307 CG POPG lipid molecules. The system consists two such monolayer
separated by a water slab. I run the simulation for 3 microsecond and
renamed th
Hi
Dear all
I have a protein with three parts: inter-membrane, transmembrane,
outer-membrane regions
I want to simulate this protein into a membrane, please let me know how to
set this protein into the membrane which for example the amino acids
located in outer-membrane and the exact amino acids
Hello,
I am using a pull code with geometry=direction-periodic and attempting to
use gmx wham to construct the free energy. I believe the pulling code is
doing what I would like it to, but as might be expected from
direction-periodic, when the pull distance is more than half the box length
the dis
Dear gmx users
I am using gromos96 54 a7 and gromos 96 a1 force fiels to simulate tow various
complexes ( protein + ligand). and used ATB and PRODRG to create topology
files for them, respectively. I dont know anything about editing ATB and
PRODRG' topology files but reassigingn their charges
Thanks, I will have a look, since unfortunately my code currently relies on
ASCII trajectories to work, and removing the extra precision I need would not
work for me.
I think it could help to print a warning when the user requests .gro files and
non-stardard precision.
Miguel
--
Dr. Miguel