[gmx-users] Error in system_inflate.gro coordinates does not match
RINU KHATTRI
nickname.mittu at gmail.com
Wed Jul 9 12:17:23 CEST 2014
hello every one
I am working on complex with popc membrane i did
perl inflategro.pl system.gro 4 POPC 14 system_inflated.gro 5 area.dat
after this step minimization
grompp -f minim.mdp -c system_inflated.gro -p topol.top -o em.tpr
i got error
Fatal error:
number of coordinates in coordinate file (system_inflated.gro, 10224)
does not match topology (topol.top, 10245)
i have been removed 6 lipid molecules in my topology file according to
output i got one thing new in my system_inflate.gro file the written
displayed atom is 10224 but after counting it is 10536 so if i correct it
difference is more
in topology file [molecule]
protein chain 1
UNK 1
POPC 122
how to resolve it
kindly help
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