[gmx-users] Fwd:

[Justin Lemkul]

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.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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