[gmx-users] Simulation in octanol as solvent

nur avneet nuravneet at yahoo.co.in
Wed Mar 14 07:16:10 CET 2007

Dear All
 I want to study a peptoid sequence in octanol as solvent
 Please guide me how to proceed.
 I got the octanol eqilibrated box topology files from GROMACS site, (gromacs users contributors section)..but am not able to add my peptoid sequence to it...moreover the octanol box model that i got is by the ffoplsaa ...while my peptoid is from ffG43a1...
 I gave the editconf and then the genbox comand...but then it shows zero solvent molecules that are added.
 can anyone guide me...hw to proceed
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