AMBER Archive (2002)

Subject: Re: .top files read into xLeap?

From: David A. Case (case_at_scripps.edu)
Date: Mon Nov 11 2002 - 20:20:41 CST

On Mon, Nov 11, 2002, Arvid Soederhaell wrote:

> Is it really so that one cannot read in .crd and .top into xLeap?

Yes, this is true.

> I have a .top file that I have
> edited in a coupple of points and now it contains a circular
> polypeptide. While this is not standard i have to re-edit all changes when
> i load in a .pdb flie created by ambpdb. One way to avoid this may be to
> save the structure as an .off file, but then its messy to read in new
> coordinates based on the same topology.
>

Saving as an .off file is probably a good idea, if I understand your
situation.

..regards...dac 

-- 

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