[gmx-users] Re: Nanotube and DNA with periodic boundary conditions

David spoel at xray.bmc.uu.se
Sun Aug 14 20:19:52 CEST 2005

On Sun, 2005-08-14 at 13:13 -0400, Bob Johnson wrote:

> Do I need the CVS version to use position restraints. It doesn't seem like 
> this feature works. I get
> WARNING 1 [file "posre.itp", line 5]:
>   No default Position Rest. types for perturbed atoms, using normal values
Position restraints work fine in all gromacs versions. This is another
error. You probably have to few force field parameters. You need three,
one for each dimension.

> Thanks,
> Bob Johnson 
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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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