[gmx-users] Fwd: error during ions.tpr genereation.

[Justin Lemkul]

On 2/26/20 1:26 PM, Neha Tiwari wrote:
> Dear all,
> I want to know if there is any error in the .itp file of ligand attached

The mailing list does not accept attachments.

> here, the ligand molecule was refined and optimized using G03 calculation
> and .itp was generated using the ATB server.
> As I am unable to generate any extension files in GROMACS using this.
>

If you are getting a specific error, please quote it directly (copy and 
paste from your terminal) and provide it to us. In the absence of an 
actual error, there's nothing anyone can do to help you.

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

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