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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