[gmx-users] grompp error for customized topology

[singh]

Dear Gromacs users,

 

I am trying to use a customized topology for my simulation runs. I am
getting a following error while generating a tpr file using grompp.

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Program grompp, VERSION 3.3.1

Source code file: toppush.c, line: 1180

 

Fatal error:

Incorrect number of parameters - found 3, expected 2 or 4.

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I am not performing any free energy calculations in my simulation run & I am
also able to generate and successfully run simulations using Gromacs version
3.2.1

 

With Regards,

Gurpreet Singh

 

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University of Dortmund
Department of Chemistry
Physical Chemistry I  -  Biophysical Chemistry
Otto-Hahn Str. 6
D-44227 Dortmund
Germany
Office:   C1-06 room 176
Phone:  +49 231 755 3916

Fax:     +49 231 755 3901

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