AMBER Archive (2002)

Subject: Re: PARMSET

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 21 2002 - 10:13:38 CST

On Thu, Nov 21, 2002, sara nunez wrote:
>
> We are trying to load a parameter file in leap which contains all the
> special parameters for our non-standard atoms.
> The problem is that leap recognises the bonds, dihedrals, etc. in out .dat
> file, but not the atoms types! (and the atom types ARE in the .dat file)
> We were wondering where we may have gone wrong.

We would need to see the files you are referring to. From the data given
above, I doubt that anyone could be expected to figure out what is wrong.
It sounds like a formatting problem in the files to me.

..regards...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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