[AMBER] Error message from FEW in Amber14 tutorial A24

From: Michael Shokhen <michael.shokhen.biu.ac.il>
Date: Sun, 22 Mar 2015 13:44:30 +0000

Dear All,



I have been trying to follow



Tutorial A24



Free energy calculations with the Free Energy Workflow Tool (FEW)

By: Nadine Homeyer and Holger Gohlke



I used Ubuntu Linux workstation with Bash shell,

where I have academic licensed Amber14 and AmberTools14.



Adopting the paths changes ( also in leap_am1) as requested in tutorial

 I used the command:



perl ~/amber14/AmberTools/src/FEW/FEW.pl MMPBSA /home/shokhen/tutorial/cfiles/leap_am1

The FEW started and aborted with error message:



##############################################

# #



# #



# FEW #



# Free Energy Workflow #



# #



# #



###############################################







 Checking input parameters and files.



sh: 1: Syntax error: Bad fd number

Cannot open file log.txt for reading.



I would appreciate any directions how to solve the problem.



Thank you,

Michael





*****************************
Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
Israel
email: shokhen.mail.biu.ac.il<https://webmail.biu.ac.il/owa/redir.aspx?C=a160ef9b9a6b4d06992402715d3ee465&URL=mailto%3ashokhen%40mail.biu.ac.il>
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Received on Sun Mar 22 2015 - 07:00:02 PDT
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