Constraint with AMBER

Jacopo Sgrignani sgr... at
Tue Oct 18 08:53:10 UTC 2011

Dear All
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:
          MD 1
        &END EACH
       FILENAME =aro.psf

Can you help me?


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