[gmx-users] default groups

[K.A.Feenstra]

Luca Monticelli wrote:
> 
> Hi
> I found something strange in one of the "default groups":
> the "Prot-Masses" default group of atoms should be formed by "protein
> atoms excluding dummy masses", but it looks to me that MW1 and MW2 atoms
> of the TRP residues are also included - as a result, when I
> extract a pdb from a trajectory and I ask for "Prot-Masses" group, I also
> get MW1 TRP and MW2 TRP atoms in my pdb file.
> That's no big deal if you just have to look at one pdb file, but it's kind
> of a problem for other analysis programs.
> Can anybody fix this?

I just did. It will be included in the next patch release (which might be some time still).

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             |                                                     |
|  _   _  ___,| Anton Feenstra        Dept. of Biophysical Chemistry|
| / \ / \'| | | anton at chem.rug.nl            University of Groningen|
|(   |   )| | | +31 50 363 4327      Nijenborgh 4  9747 AG Groningen|
| \_/ \_/ | | | http://md.chem.rug.nl/~anton         The Netherlands|
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