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T2. Amber Tutorial xLeap / An Example with LEaP
An Example with LEaP AMBER Molecular Dynamic Program https://ambermd.org/tutorials/pengfei/index.php source leaprc.protein.ff14SB source leaprc.water.spce fasciculin = loadPdb "1fsc_amb.pdb" solvateOct fasciculin SPCBOX 14.0 addIons fasciculin Cl- 4 saveAmberParm fasciculin solvated_1fsc.top solvated_1fsc.crd quit
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