[gmx-users] grompp fatal error

SLN Prasad Reddy sreeyapu at rediffmail.com
Thu Nov 25 10:06:35 CET 2004


Dear Gromacs users,
I installed gromacs 3.1 and working on a protein having 247 amino acids ,ATP and Mg++. I could generate waterbox by using genbox command. When i used "grompp" command to generate "xxx.tpr" to use with "genion" ,it is showing following error. 

Fatal error: number of coordinates in coordinate file (box.pdb, 24489)
does not match topology (nbd.top, 0)

I checked the number of coordinates in "box.pdb" and "nbd.top" and they are verymuch same.

Kindly suggest me a solution. your suggestion will help me greatly.

Many thanks in advance


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