Hello Justin,
Thanks for the reply . I apologise for the repeat mail. The parameters are for
ffG43a3 forcefield. Yes I am using the default electrotatics cutoff values as
an initial run. I would change to PME method as you say. However I was
wondering If r_epsilon value equals to 66 contributes
Dear All,
I wish to calculate the components of pressure (pressure tensor) of a group,
ie x,y and z components . Is there any any function in GROMACS which will do
it for a group as a function of height. Or do I have to write my own code
for postprocessing. Thank you.
--
Avinash Kumar.
_
Dear Gromacs users!!
I have a lipid - peptide system which I simulated for 50ns. Now in the
beginning of the simulation the peptide was at the center of the bilayer but
with time the peptide moved and came very close to the edge. Now near the edge
it is having the interactions with the images o
sharada wrote:
Hello Justin,
Thanks for the reply . I apologise for the repeat mail. The parameters
are for ffG43a3 forcefield. Yes I am using the default electrotatics
cutoff values as an initial run. I would change to PME method as you
say. However I was wondering If r_epsilon value equal
priyanka srivastava wrote:
Dear Gromacs users!!
I have a lipid - peptide system which I simulated for 50ns. Now in the
beginning of the simulation the peptide was at the center of the bilayer
but with time the peptide moved and came very close to the edge. Now
near the edge it is having the
varsha gautham wrote:
Dear all,
Am trying to do simulation of DPPC membrane.Am using ffgmx force
field,because other force fields doesnt have DPP residue,so got an error
saying "Residue DPP not in topology database.
Don't use ffgmx for anything. It is long-since deprecated. The paramet
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