[gmx-users] Reg pdb2gmx

[Dallas B. Warren]

Might be an idea to try a search
(http://www.gromacs.org/external/search.html) of the emailing list when
you get errors like this.  This is a very common one and a significant
number of responses are available on the list, archived for future
reference.

Quick word on what the issue is, pdb2gmx is for generating the topology
files for proteins.  PDB file has to have the residues named corrently
to the names used in the database of residues (corresponding to the
forcefield used).  If you don't have proteins, then you don't use
pdb2gmx.  You have to generate the topology file yourself, and how you
do this is covered in the manual.  Plus try searching on this emailing
list, has been covered many times in great detail.

Catch ya,

Dr. Dallas Warren
Lecturer
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 9524
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.