> On Dec 9, 2014, at 3:25 AM, ROOPALI VERMA <roopaliverma7.gmail.com> wrote:
>
> dear amber user,
>
> thank you for your reply.
>
> but i have used same leaprc file earlier with other protein and it created
> the .prmtop and inpcrd file.
Just because the files were successfully created doesn’t mean they implement a good model. ff96 is *known* to be a highly deficient force field (that is nearing 20 years old!), and any results you obtain from a simulation using it would likely be unpublishable in peer-reviewed journals. There is no reason (outside of *maybe* some comparison studies) to use this force field when far superior alternatives exist.
>
> recently i have installed the amber12tools and amber12 in my ubuntu system
> it runs the sander module but wont run the tleap module.
You will need to provide more information here. “won’t run tleap” doesn’t tell us any information that would help in figuring out what *actually* went wrong (and if we don’t know what went wrong, how can we suggest fixes?)
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Dec 09 2014 - 04:30:03 PST
