AD_LANGEVIN thermostat
Pietro Vidossich
vi... at klingon.uab.es
Thu May 2 16:25:41 UTC 2013
Dear developers,
It appears there is a problem when restarting a calculation using the
AD_LANGEVIN thermostat. The MASS section is not written in the .restart in the
format in which it is then read in. In attachment you may find my solution,
which consistented in creating a new routine (SUBROUTINE
create_mass_al_section) for reading the data. Likely, there is a better fix.
regards, pietro
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