Dear All
I have added octanolas solvent...but now my problem is that if i take the itp
file as available on the gromacs site (which is in ffoplsaa) there are too many
warnings related to bond types and if i get an itp generated through prodrg
then it excludes the aliphatic hydrogens, while my gro file has all hydrogens
and hence thereafter the coordinates donot match....
What should i do??
Should i remove all hydrogens from the octanol gro file...and if yes is there
any command to do so...as its very tedious to remove all hydrogens from 512
molecules...
Regrds
nur
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