[gmx-users] Regarding coordinate mismatching.

sanjay choubey sanjay_chby at yahoo.com
Tue Aug 27 11:59:39 CEST 2013


Hi,
 I am running membrane dynamics. After giving this commnad 


> grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr

  i am receiving the following errors: 
Generated 837 of the 2346 non-bonded parameter combinations
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
turning all bonds into constraints...
Excluding 3 bonded neighbours molecule type 'Protein_chain_B'
turning all bonds into constraints...
Excluding 2 bonded neighbours molecule type 'SOL'
turning all bonds into constraints...
Excluding 1 bonded neighbours molecule type 'NA'
turning all bonds into constraints...
Excluding 1 bonded neighbours molecule type 'CL'
turning all bonds into constraints...

-------------------------------------------------------
Program grompp, VERSION 4.5.5
Source code file: grompp.c, line: 523

Fatal error:
number of coordinates in coordinate file (em.gro, 44494)
             does not match topology (topol.top, 43374)
 ------------------------------------------------------------

                                                   I am not getting how to rectify the error, number of coordinates in coordinate file em.gro(44494) doesnot 
 match topology(topol.top, 43374).


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