Temperature file

REMD can read a temperature ladder using temp <filename> in multi_replica remd. The file must contain exactly one positive temperature in K per replica, in strictly increasing order. Values are separated by whitespace; # introduces a comment. No header or initial temperature count is required.

Example

For four replicas:

# Temperatures in K
300
340
390
450

Use ensemble nvt_bdp 300 450 100 with this ladder.