[gmx-users] Topology files

kirtana S skirtana4 at gmail.com
Tue Feb 28 23:18:58 CET 2012

Dear Users,

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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120228/8a48eb35/attachment.html>

More information about the gromacs.org_gmx-users mailing list