Constraint with AMBER
sgr... at gmail.com
Tue Oct 18 08:53:10 UTC 2011
I'm trying to use the procedure described into this post : Constraint
warning with AMBER PDB file
First of all, I dumped the prmtop file into a psf file.
Then I modified the molecule name and changed the prmtop with the dumped psf
in the input file. Then, I tryed to run a QM/MM MD with constraints.
However I got this error:
*** Missing critical ForceField parameters! Abort.. ***
The prmtop file works well, then I think that I have to specify somithing
during the dumping procedure
Now I'm using this command:
Can you help me?
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