[AMBER] calculating methane parameters using RISM

From: angad sharma <angadsharma54.gmail.com>
Date: Thu, 2 Jul 2020 14:01:03 +0530

To calculate pair correlation function of all methane -methane sites in
water. I have made a model of methane but when i run the following command
i got a error

$ bash runrism1d.sh
At line 213 of file rism1d.F90 (unit = 10, file = 'SPC_Methane.inp')
Fortran runtime error: End of file
runrism1d.sh: line 50: goto: command not found
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Received on Thu Jul 02 2020 - 02:00:03 PDT
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