[gmx-users] No default Proper [Bond, Angle, Dihedral]

[Anton Feenstra]

Arturas wrote:

> Hi,
> 
> Yes - i use *.top and *.gro and no warning have deteced before...

If you had no error before you should have no error now. Are these *.top
and *.gro files from the same run pdb2gmx? From my experience, it is most
often in these trivial steps that many of the horrible problems arise!

If in doubt, I would suggest you copy your input .pdb file to a new
directory, run pdb2gmx there, copy your .mdp file there also and try
grompp again.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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