AMBER Archive (1999)

Subject: Re: link

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.EDU)
Date: Wed Nov 03 1999 - 13:42:00 CST

The "if" statement that is causing this is:

      if (nat .gt. 150 .or. nbond .gt. 300 .or. ntheta .gt. 350 .or.
     + nphi .gt. 400 .or. next .gt. 600 .or. ic .gt. 400) goto 1000

so check your prep output for the values of each of these.

nat = number of atoms
nbond = total number of bonds
ntheta = " " " angles
nphi = " " " dihedrals
next = number of excluded atoms
ic ? appears to be the number of "move to"/"draw to" instructions.

good luck,
jim

On Wed, 3 Nov 1999, user1 wrote:

> I'm running link for a protein which contains an inhibitor, but the program
> stops with this message error:Residue HMM is too big (HMM is the inhibitor
> molecule, and it's only of 42 atoms). What should I do ?
>
> Thanks to everyone,
> Cristina Dezi
>
> --
>

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