@GENERAL PREFIX snapshot PATH ./ COMPLEX 1 RECEPTOR 1 LIGAND 1 COMPT ../../pdz1/complex/DSLA/complex_dsla_nowat.prmtop RECPT ../../pdz1/protein/1gq4.prmtop LIGPT ../../pdz1/ligand/DSLA.prmtop GC 0 AS 0 DC 0 MM 1 GB 0 PB 1 MS 1 NM 0 @PB PROC 2 REFE 0 INDI 1.0 EXDI 80.0 ISTRNG 0.0 SCALE 2 LINIT 1000 PRBRAD 1.4 RADIOPT 0 NPOPT 1 CAVITY_SURFTEN 0.0072 CAVITY_OFFSET 0.00 SURFTEN 0.0072 SURFOFF 0.00 @MM DIELC 1.0 @MS PROBE 0.0 @PROGRAMS