[gmx-users] g_saltbr

[Anton Feenstra]

Mateusz Nowak wrote:

> Hi all!
> 
> In g_saltbr distances between charged groups are plotted. I'd like to ask
> which distance is this exactly:
> 
> 1. distance between centres of mass of 2 charge groups
> 
> 2. or distance between particular atoms from interacting groups e.g. NZ
> from LYSH and OD1 (or OD2) from ASP?


Judging from the source, it appears to be the smallest distance between
any pair of atoms from two charge groups.

-- 
Groetjes,

Anton
  ________ ____________________________________________________________
|        | Anton Feenstra                                             |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam     |
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