[gmx-users] Ac-CoA topology problem

[Justin A. Lemkul]

Thamu wrote:
> Hi gmx-users,
> 
> I am a new user of gromacs. I am trying to simulate a protein with cofactor Acetyl-CoA.
> I have generated gromacs topology for cofactor using prodrg server. I used OPLS-AA force field.
> I got the error message " Fatal error: Atomtype OA not found.
> 
> 

PRODRG generates Gromos-compatible force field parameters, not OPLS.

-Justin

> I couldn't fix this problem. Could any one suggest me how to fix this problem.
> 
> 
> Thanks in advance,
> 
> Yours sincerely,
> S. Thamotharan
> 
> 
> 
> 
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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