Hi,
I downloaded POPE.itp and lipid.itp file from
Dr Tieleman website http://moose.bio.ucalgary.ca/index.php?
page=Structures_and_Topologies. I am trying to convert C6/C12 parameters
to sigma/epsilon as suggestions given by Dr.Chris neale in mailing list
http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html.
In this mailing list, in atomtypes section given as " added atomtypes H
from olsa_369 to match H expected by pope.itp"
My question,
In which file "olsa_369 " parameters available.
Any suggestion is appreciated.
Thank you in advance.
in "ffoplsaanb.itp" - one of the files you have to modify anyway. ;)
Just search for "opls_369".
regards
Oliver
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