AMBER Archive (2007)

Subject: Re: AMBER: unable to save prmtop/inpcrd for chcl3box

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 03 2007 - 09:58:03 CDT


On Fri, Aug 03, 2007, Francesco Pietra wrote:

> With *.prepin for axial methylcyclohexane, in xleap
>
> solvatebox AME TIP3PBOX 15
>
> worked nicely and tutorial A2 could be completed.
>
> In contrast, with
>
> solvatebox AME CHCL3BOX 15
>
> neither prmtop nor inpcrd were saved (Amber9 in use). In a first attempt
> (leap_old.log, "Could not find type: CL)

It looks like you are not loading frcmod.chcl3. This file contains the
parameters for CHCl3.

...dac

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