[gmx-users] Formyl parameters

Shima Arasteh shima_arasteh2001 at yahoo.com
Tue May 8 17:25:03 CEST 2012

Dear gmx users,

My .pdb input file has a formyl group which is not defined in CHARMM27 and CHARMM36. So I  got its .itp file through swissparam. Now I want to use its parametrs. As I read in gromacs.org ,  I need to include this .itp in .top file. How does it come when I have not got any .top file yet?
Anybody can suggest me how I can use .itp file and solve my problem?

Thanks in advance,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120508/7e18497e/attachment.html>

More information about the gromacs.org_gmx-users mailing list