AMBER Archive (2008)

Subject: Re: AMBER: top and crd files without hydrogen

From: Waqas Nasir (nasirwaqas1983_at_yahoo.com)
Date: Tue Sep 16 2008 - 05:32:42 CDT

I just need the files for some other calculations not the simulation.

----- Original Message ----
From: Carlos Simmerling <carlos.simmerling_at_gmail.com>
To: amber_at_scripps.edu
Sent: Tuesday, September 16, 2008 1:04:36 PM
Subject: Re: AMBER: top and crd files without hydrogen

youwould need to use a united atom force field, but even these usually
have the polar hydrogens. do you want to do simulations without any
hydrogen, or just get the files?

On Tue, Sep 16, 2008 at 5:18 AM, Waqas Nasir <nasirwaqas1983_at_yahoo.com> wrote:
> Hi,
>
> Is there anyway that one could generate top and crd files without hydrogen
> atoms, i.e. after stripping off hydrogens.
>
> Thanks,
> Waqas.
>
>
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