I wanted to know if there is any other way of passing variables to charmm from bash script. below script does not work.
charmm < recenter_orient.inp
I want to use filepath stored in fdcd in charmm.
I am having 48 dcd in different directories. directories are named as 0 to 47.
right now i have created a loop in charmm to read different dcds but i am unable to store different log file for each dcd recenter. so wanted to put loop in bash and run charmm 48 times instead of putting loop in charmm script which ends up creating single log file.