[gmx-users] generation of tfe solvent box
prasun30 at gmail.com
Thu Jul 10 09:20:47 CEST 2008
i would like to generate a TFE solvent box for my simulation.I have created
a pdb file containing the 1000 TFE molecules in the cubic cell having
dimension 40.Now i want to convert it into gro file and call it in the
gromacs simulation .
can any one help me in generating gro file of TFE.I have "tfe.itp" file.
Should I change something in the *.rtp file.
I tried using PRODRG but it has limitations of only 300 atoms.
I am gettin error like this
PRODRG cant model most non carbon -halogen bonds
can any one help me in getting gro file for TFE.
Thanx in advance
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