@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 1 AS 0 DC 0 MM 0 GB 0 PB 0 MS 0 NM 0 @MAKECRD BOX YES NTOTAL 11028 NSTART 1 NSTOP 5000 NFREQ 50 NUMBER_LIG_GROUPS 1 LSTART 1 LSTOP 55 NUMBER_REC_GROUPS 1 RSTART 56 RSTOP 1376 @TRAJECTORY TRAJECTORY complex_dsla_5ns.mdcrd @PROGRAMS