Re: [AMBER] Error in Step two of MCPB

From: Akinpelu Olayinka <>
Date: Wed, 30 Oct 2019 13:23:22 +0000 (UTC)

 Oga Sodiq. 
Sure your research is going on well.
I hope you get a solution to this problem ASAP.
Just saying hello.
    On Wednesday, October 30, 2019, 02:13:53 PM GMT+2, Sodiq Waheed <> wrote:

I am using the to prepare my parameter for the Fe center. After the
completion of all the three Gaussian calculations, I decided to proceed
with step two of MCPB i.e. -i -s 2, but I keep getting the
below errors:

"Traceback (most recent call last):
  File "/usr/local/amber18/bin/", line 657, in <module>
    ff_choice, gaff, frcmodfs, watermodel)
line 54, in gene_pre_frcmod_file
    Params = get_parm_dict(ffchoice, gaff, frcmodfs)
  File "/usr/local/amber18/lib/python2.7/site-packages/pymsmt/", line
529, in get_parm_dict
    parmdict3 = read_frcmod_file(i)
  File "/usr/local/amber18/lib/python2.7/site-packages/pymsmt/", line
447, in read_frcmod_file
    lndict[lnlist1[-1]] = (lnlist2[-1]+1, tln)
IndexError: list index out of range"

I have tried my best to check all my files and also went ahead to start the
process again but I keep getting the same error, even after the new
Gaussian calculations. Could you please help me out?

Thank you,

Best regards,
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Received on Wed Oct 30 2019 - 06:30:02 PDT
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