I am carrying out molecular dynamics simulation of drug-dna system; after having had removed the nucleic acid from the complex when i proceed to to the MD via AMBER force field in UBUNTU system i receive the following error; however when i do the same in CENTOS system the process gets completed and no error occurs.
I have already done the MD via CHARMM using my UBUNTU system.
Attached file shows the error, kindly help:
@Stephane Abel, yes sir the *.mol2 file and acepy both are in the same working directory, still the error is occuring.
In most of the Unix systems #!/bin/sh is a symbolic link to the bash shell nowadays. However, if I remember well, in Ubuntu redirects to the dash shell, that operates differently.
Try to change #!/bin/sh to #!/bin/bash in your script.
Hope it works!
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