[gmx-users] rtp

Mark Abraham Mark.Abraham at anu.edu.au
Sat Dec 15 00:00:07 CET 2007

jayant_jacques wrote:
> Hi!
> I am attempting to simulate a protein with a modified amino acid using 
> the Gromacs force field with hydrogens for NMR. I have built the RTP and 
> TOP files using PRODRG.
> I need to know what is the rtp file? relevant to the above force field 
> such that I can append my rtp file. Is it the ffgmx2.rtp or  ffgmx.rtp?

See the PRODRG documentation and the GROMACS manual. Forcefield 
selection should come before you do any other work.


More information about the gromacs.org_gmx-users mailing list