[gmx-users] Building Topology with all hydrogens
ssupakar at gmail.com
Thu Feb 21 13:20:14 CET 2008
Hi All !
I want to do a MD study of a few molecules in a box of sodium cetyl
I want the the topology Sod-cetyl-sulphate with all its hydrogens as without
that there would occur a mismatch
in the number of atoms in the system and the number of atoms in the topology
file. I tried the the dundee server, but I got the topology of the molecule
with no H.
Can any one suggest a possible way for building the topology for the
Sod-cetyl-sulphate with all its hydrogens.
Dept. of Bioinformatics
WestBengal University of Technology
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