[gmx-users] How to make itp with pdb2gmx?

Dallas Warren dallas.warren at vcp.monash.edu.au
Fri Aug 27 01:34:57 CEST 2004

>How do you generate an itp file in a straightforward
>manner with pdb2gmx?

The residue has to exit within the ff*.rtp file.  If it doesn't, then it 
can't generate it using that program.  In that case, you have to either use 
the PRODRG server or build one yourself.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

More information about the gromacs.org_gmx-users mailing list