[gmx-users] Regarding adding ions error

2013-08-25 Thread sanjay choubey
Hi,
 I am running a membrane protein dynamics. After adding ions i am receiving a 
fatal error like
Your solvent group size () is not a multiple of 15. 
                                           Kindly help me in fixing the error.
                                            Sanjay kumar choubey
                                            Reseearch scholar
                                            Dept. of Bioinformatics
                                            Alagappa university.

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[gmx-users] Regarding coordinate mismatching.

2013-08-27 Thread sanjay choubey
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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