[gmx-users] different number of waters (grompp)

Ricardo O. S. Soares ross_usp at yahoo.com.br
Sat May 7 02:18:41 CEST 2011

Hello dear users,

I'm having a problem trying to simulate one trimer. I'm using tip4p water and 
right after I fill the box with water and try to pre-process (grompp) the 
resulting .gro and .top, I get the following error: 

Program grompp, VERSION 4.5.1
Source code file: grompp.c, line: 377

Fatal error:
number of coordinates in coordinate file (../box/box_water.gro, 274045)
             does not match topology (../top_water.top, 273029)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Here's the ending of the .top file:

[ molecules ]
; Compound        #mols
Protein_chain_A     1
Protein_chain_H     1
Protein_chain_L     1
SOL                59
SOL                97
SOL                98
SOL             66032

And the beginning of the .gro file shows the number "274045"

Thanks for your time.

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