[gmx-users] Topology files
skirtana4 at gmail.com
Tue Feb 28 23:18:58 CET 2012
In the gromacs manual on means to convert the pdb file to gromacs topology
file I need to use pdb2gmx.
Here I have to specify the force field .How to work with organic residues
which do not exists .
Since I had used general amber force field, and could not find this in the
/share/top/ directory .
Do I need to manually construct the .itp file for each residues. What will
be the easiest way to construct
a solvated box with user defined residues in gromacs.
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