[gmx-users] GROMACS Error

[Justin A. Lemkul]

Srinivasan Ramachandran wrote:
> Hi,
> Can anyone help with the error we are getting while running this tutorial.
> 
> command is
> grompp –f em.mdp –c trp_b4em.pdb –p trp.top –o em.tpr
> 
> error is
> Number of coordinates in coordinate file (trp_b4em.pdb, 28381) does not 
> match with topology file(trp.top, 28397)
> 
> We follow as per the guide but quite not able to figure out where the 
> error is?
> 

You likely have not updated your topology correctly after making some 
modification, like adding ions.

http://wiki.gromacs.org/index.php/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology

-Justin

> With Kind Regards
> 
> Ramu
> Dr. S. Ramachandran
> Scientist EI
> Institute of Genomics and Integrative Biology, Mall Road, Near Jubilee Hall
> Delhi 110 007, India
> Tel: 2766-6156
> Fax:2766-7471
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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