hello
I m unable to update the [ molecules ] directive of topol_pope.top .
grompp -f minim.mdp -c system_inflated.gro -p topol_pope.top -o em1.tpr
Fatal error:
number of coordinates in coordinate file (system_inflated.gro, 20782)
does not match topology (topol_pope.top, 37867)
this is my .top file
; Include chain topologies
#include "forcefield.itp"
#include "pope.itp"
; Include water topology
#include "spc.itp"
; Include ion topologies
#include "ions.itp"
; System specifications
[ system ]
340-Lipid POPE Bilayer
[ molecules ]
; molecule name nr.
POPE 340
SOL 6729
this is system.gro
Gnomes, ROck Monsters And Chili Sauce
41229
this is sytem_inflated.gro
What you read here has nothing to do with anything. So you don't have to
read it. Thank you.
20782
but there is 3362 protein atom and 17680 lipid in sytem_inflated.gro then
why inflategro.pl script is generating wrong total count .
help!
thank for ur support !
with regards :
shikha
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