[gmx-users] error in grompp

[Nur Syafiqah Abdul Ghani]

Dear All,

Fatal error:
number of coordinates in coordinate file (prot_wtr_solv.gro, 18031)
             does not match topology (control.top, 16650)

It happen when i started to minimize it by using the command

grompp -v -f minim_first.mdp -p control.top -c prot_wtr_solv.gro -o
minim_prot.tpr -zero

When i open the control.top and the prot_wtr_solv.gro file and i
startet to calculate the missing atom is about 1381 which is for my
DRG molecule..
I already edit and put the topology like below :

; Include topology for DRG
#include "solvent.itp"

[ system ]
; Name
ALZHEIMER'S DISEASE AMYLOID in water

[ molecules ]
; Compound        #mols
Protein_chain_A     1
DRG		               1381
SOL                       350

Can you guys please explain it to me why this happened..Its still cant
be minimize it yet..

Thanks in advance!

-- 
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
013-7188131
alternative email : syafiqahabdulghani at gmail.com