[gmx-users] Error message with grompp

deepa rajamani deepsri at bu.edu
Wed Nov 30 22:27:33 CET 2005


I manually made a topology file for phenol on the basis of the Tyr 
topology and when I run grommp with this .itp file included I get the 
following error message which I do not understand.
Program grompp, VERSION 3.3
Source code file: topio.c, line: 405

Fatal error:
Found a second defaults directive, file 
"/usr/local/gromacs/share/gromacs/top/ffG43a2.itp", line 6
Can somebody tell me what that means and what i will have to change for 
the grompp to work?

Deepa Rajamani

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