[gmx-users] pdb2gmx - .top missing values

Dallas Warren dallas.warren at vcp.monash.edu.au
Tue Oct 8 05:44:09 CEST 2002


I have been working on adding my own residue to .rtp, with all the ffgmx* 
files copied to a new force field.

I managed now to get pdb2gmx to process a pdb file containing the residue 
and spit out the .gro and .top files.  However, the .top file does not have 
the bond etc information in it.  Any suggestions on why this might be the case?

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
dallas.warren at vcp.monash.edu.au
+61 3 9903 9076
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