[gmx-users] OPLS force field does not recognize Atom type

Justin A. Lemkul jalemkul at vt.edu
Wed Sep 10 04:15:54 CEST 2008

Morteza Khabiri wrote:
> Dear
> As you said I change the name of the itp file to opls_xxx.
> It works. thank you very much. But now i faced with new problem. I got new
> error:
> Fatal error:
> Incorrect number of parameters - found 4, expected 6 or 12.

It was probably printed with a line number in the topology.  What you need to do 
is identify what parameter that corresponds to, then read in Chapter 5 of the 
manual about what types of parameters you need to specify.


> what does it mean?
> Thank you in advance
> Morteza
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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