Dear all,
I'm running a (test) MD calculation using the polarizable FF02 (Yang et
al.) force field with the Carr-Parinello dipole integration scheme.
However, when I try to read in the dipole positions and velocities
during a restart with IRSTDIP=1, sander crashes and issues an Fortran error:
forrtl: severe (19): invalid reference to variable in NAMELIST input,
unit 5, file md_pol_restart.inp, line 35, position 12
which is the line where IRSTDIP is specified.
Is this an user (i.e. in my input file) or a program error?
Thanks in advance,
Anselm
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 16 2007 - 06:07:33 PDT
