Dear all:
I was trying to run a QM/MM simulation using Sander’s external interface with Gaussian09. The input file was successfully generated from Sander and passed to Gaussian09 without a problem. In addition, I looked into the .log file and the program seems to have terminated normally. Moreover, there is also a gau_job.chk file and and gau_job.fchk file in the working directory. However, Sander unexpectedly quits and generates the message “SANDER BOMB in subroutine read_results (qm2_extern_gau_module) Error opening Gaussian log file gau_job.log (expected in same dir as input file). Will quit now” in the .out file. Meanwhile there is a gau_job.inp.log file generated from the input file in the working directory and it says Normal termination of Gaussian 09 at the end of the file. Am I doing anything wrong?
Thanks in advance!
Andy Liu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 03 2017 - 02:30:02 PDT
