[gmx-users] Umbrella Sampling options

[Jochen Hub]

Dechang Li wrote:
> Dear all, 
>
>     I want to do a simulation using Umbrella Sampling. It was said
> that 'the position of the pulled group relative to the reference group'
> of the options 'pos1'. If I don't want to restrain the position of 
> the pulled group but to restrain the distance between the pulled group 
> and the reference group. How can I achieve it using Gromacs-3.3.1? 
I think the "the position of the pulled group relative to the reference group" actually means the "distance between the pulled group and the reference group", so, that's just what you want, isn't it?

Jochen


-- 
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Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
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