#!bin/bash                                                                                                                                                                                         

# prepare parameter and topology file and coordinate file for 1fsc                                                                                                                                 
source leaprc.protein.ff14SB
source leaprc.water.spce
fasciculin = loadPdb "1fsc_vmd_HOH.pdb"
#solvateOct fasciculin SPCBOX 14.00
#addIons fasciculin Na+ 20 Cl- 24
saveAmberParm fasciculin 1fsc_HOH.top 1fsc_HOH.crd
quit