1. Choice of implicit model: igb=2,5,8 for GBSA igb=1,3 for PBSA. 2. Choice of interval: Default 10. Input file for running GB2 &general verbose=0,keep_files=0,interval=${INTERVAL} / &gb igb=${IGB}, saltcon=0.150 /
Choice of implicit model:
igb=2,5,8 for GBSA
igb=1,3 for PBSA.
Choice of interval:
Default 10.
Input file for running GB2
&general
verbose=0,keep_files=0,interval=${INTERVAL}
/
&gb
igb=${IGB}, saltcon=0.150
/