Hi InSuk,
I have found the reason of your problem.
Please apply the attached patch to your code and re-compile sleap.
Sincerely,
Wei
On Mar 31, 2010, at 6:33 PM, InSuk Joung wrote:
> Hi,
> I want to report one more problem of sleap.
>
> My input is
>
> --------
> source leaprc.ff99SB
> loadoff ions08.lib
> loadamberparams frcmod.ionsjc_tip4pew
> loadamberparams frcmod.tip4pew
> loadoff tip4pewbox.off
> WAT = TP4
> model = copy Cl-
> solvateoct model TIP4PEWBOX 12
> saveamberparm model model.prmtop model.inpcrd
> quit
> ---------
>
> sleap does not work with this script but tleap does.
>
> --
> Best,
> InSuk Joung
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Received on Wed Mar 31 2010 - 22:00:03 PDT
