[gmx-users] how to introduce vacuum??

[Anton Feenstra]

Oliver Beckstein wrote:
> Note that this assumes that your waters are named as residues SOL and that
> all distances in gro files are in nm (not Angstrom). It is important that
> the first residue in the gro file starts with the number 1 (see bugs in
> --help). 

Just a note: the .gro file format explicitly requires nanometers. Angstroms
should *not* be used.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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