[gmx-users] problem with generating itp file for my own ligand

Lam Yan, Sonia reinx1121 at gmail.com
Tue Dec 25 09:51:14 CET 2007


Hi everyone!

I know there are some programs/servers such as PRODRG which can help us to
generate the itp files for specific ligand.

However, the system now I am working on is Gromacs OPLSAA, I wonder if there
are other programs besides PRODRG which

can generate the topology/itp files of my ligand in all-atom system?

And the ligand I am working with is acetyl-phosphate.

Thank you very much!
and merry X'mas

Sonia
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071225/e6743821/attachment.html>


More information about the gromacs.org_gmx-users mailing list