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).
--
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists