[AMBER] NumPy Import Error for MCPB.py on Amber15

From: Eleftherios A P Lambros <tlambros.uci.edu>
Date: Tue, 7 Jul 2015 16:23:54 -0700


I am attempting to run MCPB.py but it cannot find the numpy module. This is
on a Rocks cluster running CentOS with Python version 2.6.6. We have numpy
installed on the cluster, but it doesn’t seem to be able to find it. Here
is the input command and error message..

$ MCPB.py -i TS3.in -s 1a

Traceback (most recent call last):
  File "/home/rayl/amber15-with-patches/bin/MCPB.py", line 46, in <module>
    from mcpb.gene_model_files import get_ms_resnames, gene_model_files
line 8, in <module>
    from pymsmtmol.cal import calc_bond
line 5, in <module>
    import numpy
ImportError: No module named numpy

Any help is appreciated.

Eleftherios (Teri) Lambros
Mathematics, School of Physical Sciences
Biological Sciences, School of Biological Sciences
University of California: Irvine
President, Anteaters Mathematics Club
Advocacy Committee,  Biological Sciences Student Council
AMBER mailing list
Received on Tue Jul 07 2015 - 16:30:02 PDT
Custom Search