[gmx-users] Naming of hydrogens

[Anton Feenstra]

David van der Spoel wrote:
> 
> Hi,
> 
> Has anyone ever checked the naming of hydrogen atoms in gromacs, in
> particular in the all-atom force fields?
> 
> It could well be that naming of many of the hydrogens is wrong, although
> that won't affect your results, it can be inconvenient when comparing to
> experimental data from distance restraints.

I know Eiso AB (from Groningen) has identified several such mis-namings,
which were all corrected. That doesn't say, however, if there are (m)any
remaining... ;-{


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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