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Running AMBER<br />
Running AMBER suite programs: Ini4aliza4on: <br />
source /home/ei250498/PROGRAMS/modules/amber.sh <br />
antechamber <br />
XLEaP: <br />
xleap –f /home/ei250498/PROGRAMS/src/amber11/dat/leap/cmd/leaprc.ff99SB & <br />
loadamberprep acetone.resp.prep <br />
loadamberparams /home/ei250498/PROGRAMS/src/amber11/dat/leap/parm/gaff.dat <br />
loadamberparams /home/ei250498/TUTORIAL/ACETONE/5-‐XLEAP/acetone.frcmod <br />
saveamberparm ACET acetone.top acetone.rst <br />
solvatebox ACET TIP3PBOX 14 <br />
saveamberparm ACET acetone_solv.top acetone_solv.rst