AMBER Archive (2009)

Subject: [AMBER] problem using amoeba

From: Hemant Gangwar (hemant_at_physics.iisc.ernet.in)
Date: Fri Mar 27 2009 - 05:41:26 CDT


 I am trying to run pmemd run using AMOEBA force field using
AMBER10.whenever I am submitting my job ,I get the following error
message-
forrtl: severe (19): invalid reference to variable in NAMELIST input, unit
5, file /temp1/hemant/cnt_wat/min/amoeba_box/production/md_sander_prod.in,
line 35, position 47
here line35,position 47 in input file refers to iamoeba=1.
please help me ,how to reslove this problem
Hemant Gangwar
Graduate Student
Centre for Condensed Matter Theory
Indian Institute of Science
Bangalore
Mob-+91 9632726167
www.physics.iisc.ernet.in/~hemant

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