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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Aug 05 2007 - 06:07:53 PDT
