[AMBER] problems with MCPY.py step 2

From: Cristián Ferretti <cferretti2371.gmail.com>
Date: Wed, 30 May 2018 12:03:02 +0200

*H**ello**, *

*I **a**m trying to use MCPB.py on a complex with a **arachidonic acid and
5-lipooxygenase **coordinate metal center, but **when the MCPB.py perform
the final model in the step 2 :"**MCPB.py -i **5LOXMUT**.in -s 2**”, I **am
receiving the error as shown below:*


********************************************************************

** **

**===================Generate the Initial frcmod file=============**

** **

********************************************************************

*Traceback (most recent call last):*

* File "/opt/AMBER/amber16/bin/MCPB.py", line 657, in <module>*

* ff_choice, gaff, frcmodfs, watermodel)*

* File
"/opt/AMBER/amber16/lib/python2.7/site-packages/pymsmt/mcpb/gene_pre_frcmod_file.py",
line 54, in gene_pre_frcmod_file*

* Params = get_parm_dict(ffchoice, gaff, frcmodfs)*

* File "/opt/AMBER/amber16/lib/python2.7/site-packages/pymsmt/lib.py", line
529, in get_parm_dict*

* parmdict3 = read_frcmod_file(i)*

* File "/opt/AMBER/amber16/lib/python2.7/site-packages/pymsmt/lib.py", line
482, in read_frcmod_file*

* dihparms = readdih(dihparms, line)*

* File "/opt/AMBER/amber16/lib/python2.7/site-packages/pymsmt/lib.py", line
244, in readdih*

* [t(s) for t,s in zip((str, int, float, float, float, str),
terms.groups())]*

*AttributeError: 'NoneType' object has no attribute 'groups'*



* I am using Amber 16 with AmberTools 17 on a Linux workstation. I submit
the files used. Thanks.*


*Cristián*


-- 
Dr. Cristián Ferretti
Grupo de Investigación en Ciencia e Ingeniería Catalíticas (GICIC)
INCAPE CCT CONICET  Santa Fe,
Colectora Ruta Nac. 168, km 0, Paraje El Pozo
(3000) Santa Fe, Argentina
TE.: +54-342-4511546/7 – Interno 6118 - FAX: +54-342-4511170
cferretti.fiq.unl.edu.ar
http://www.fiq.unl.edu.ar/gicic





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Received on Wed May 30 2018 - 03:30:02 PDT
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