On 10/27/19 6:25 AM, saranya wrote:
Hi users,
I am performing a simulation for a protein-metal cluster complex
system. I am trying to generate itp file for the metal cluster (Au) having
144 atoms. I have taken itp file of the metal cluster (Au) with ligand from
an article(doi: 10.1016/j.colsurfa.2016.05.038) and extracted the
parameters of metal clusters alone and I used it for my system preparation.
During the energy minimization, Gromacs has shown errors like
An input file contains a line longer than 4095 characters, while the
buffer passed to fgets2 has size 4095. The line starts with: '
'...............................................................
Kindly need your valuable suggestions in this regard.
Some file you have created is misformatted, likely due to a copy-paste
error or use of either a non-plain-text editor or Windows-style line
endings.
-Justin
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Justin A. Lemkul, Ph.D.
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Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
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jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
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