[gmx-users] problem with charmm

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Mon Jul 21 14:57:42 CEST 2008

    I have followed the process as told by Yuguan Mu.But while using the comman "pdb2gmax" 
I get the following error
Source code file: ter_db.c, line: 85

Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on line
       N      NH3        14.0027    -0.3000
I am not being able to fix this problem.

Thanks in advance

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