[gmx-users] re: Using table and Buckingham potential simultaneously

[David]

On Wed, 2004-06-09 at 18:39, Pavan K. Naicker wrote:
> Dear Users
> 
> I was wondering if it is possible to use a table for a particular
> pairinteraction and then use a Buckingham potential for the remaining
> pairinteractions.
> 
pair as in two atoms or pair as in two atomtypes?

for fixed atomnumbers you can use a bonded interaction for atomtypes you
can not do it...

> How would one construct the topology file for this.
> 
> Thanks in advance
> 
> Pavan Naicker
> 
> 
> 
> 
> 
> On Wednesday, June 9, 2004, at 11:05 AM, Albert Sun wrote:
> 
>         Hi, Dear users,
>          
>         I tried to run 
>         genconf -f 1729a.gro -o aftergenconf.gro -nbox 2 2 2 -dist
>         1010 10
>         
>         (1729a.gro is a file containing 1729 atoms)
>         
>         The above command makes my computer continue running and never
>         stop,what is the problem?
>         
>         Appreciate if you could advise.
>         
>         Thanks and regards,
>         
>         Sun
>         
>          
>         
>          
>         
>          
>         
>           
>         
>          
>         
>         
>         
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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