[gmx-users] Fatal error: moleculetype SOL is redefined.

[Absalom Zamorano]

Hi gromaxers, I want to generate a tpr file for a
minimization. I have 3 peptides in water and Im using
OPLS ff, but after I run grompp, system backs me the
next message:
----------------------------------
creating statusfile for 1 node...
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 332520 of the 332520 non-bonded parameter
combinations
Generating 1-4 interactions: fudge = 0.5
Generated 332520 of the 332520 1-4 parameter
combinations
Excluding 3 bonded neighbours for Protein_X 1
Cleaning up temporary file gromppDDYIem
-------------------------------------------------------
Program grompp, VERSION 3.3
Source code file: toppush.c, line: 887
 
Fatal error:
moleculetype SOL is redefined
------------------------------------------
Some commentary will be very appreciated. 
Thank you for advance.

Dr. Absalom Zamorano Carrillo 
Profesor Titular A 
Programa Institucional de Biomedicina Molecular, ENMyH-IPN
Guillermo Massieu  Helguera  #239 Fracc. "La Escalera"
Ticomán, D.F. México, C.P  07320
Tel. (55) 57296000,  ext 55542




	
	
		
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