[gmx-users] Problems prior to running lipid-protein simulation

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Thu Oct 11 02:34:47 CEST 2007


http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_
residue_topology_database

You only run pdb2gmx on molecules that you want to generate a topology
file for.  For the lipids, you will already have the .itp files for it,
or should have.  So you don't run pdb2gmx on it.

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. 



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