[gmx-users] DNA splitting in simulations

[Sergio Manzetti]

Thanks for the funny message, but I dont think this is recollection of imaginary character: just tried with one Tcppl group (SOL) : 

Fatal error: 
1435 atoms are not part of any of the T-Coupling groups 
For more information and tips for troubleshooting, please check the GROMACS 
website at http://www.gromacs.org/Documentation/Errors 





Sergio Manzetti 

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From: "Justin Lemkul" <jalemkul at vt.edu> 
To: "gmx-users" <gmx-users at gromacs.org> 
Sent: Tuesday, June 27, 2017 3:11:15 PM 
Subject: Re: [gmx-users] DNA splitting in simulations 

On 6/27/17 7:05 AM, Sergio Manzetti wrote: 
> Jose, thanks for the DPOSRE. About the multiple tcoupling, as mentioned in the email, grompp wanted equal number of tcouplings as groups in the top file. 
> 

That's not true and what you're doing is not sensible. If you're having a 
problem, please provide an exact error message from grompp, not what's filtered 
through your recollection :) 

-Justin 

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Justin A. Lemkul, Ph.D. 
Ruth L. Kirschstein NRSA Postdoctoral Fellow 

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