AMBER Archive (2005)

Subject: AMBER: mm_pbsa

From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Fri Jul 29 2005 - 19:10:46 CDT


Hi,

When I ran mm_pbsa.pl xxx in amber8, some errors occur as follow:

mpirun must be used to launch all MPI applications
/gt/lib1/Library/amber8/exe/sander -O -i sander_com.in -o sander_com.1.out -
c ./hFc1_CD16B_na2_com.crd.1 -p ./hFc1_CD16B_na2_minimize.prmtop not successful

Anybody knows how to solve this problem?

Wei Chen

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