AMBER Archive (2002)

Subject: Re: How to convert oldparmtop to newparmtop?

From: David A. Case (case_at_scripps.edu)
Date: Wed Oct 16 2002 - 13:04:59 CDT

On Wed, Oct 16, 2002, A.Madhumalar wrote:

> Is there any way to convert oldparmtop,inpcrd(amber5/amber6) to
> newparmtop, inpcrd(amber7)? Thanks for any help.

Not really, other than by building the system again in LEaP.

There should be no reason to need to do this: all of the amber programs
continue to read the old prmtop format as well as the new one. (Exception
might be for GB simulations in sander, but there you need to re-build
the system with LEaP anyway, in order to get the proper dielectric radii
set up -- that information was not in the old prmtop files.)

..hope this helps...dac 

-- 

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