Hi Canaan,
Please change the first line in the 1amp_oh.leaprc file from
"source old/leaprc.ff94"
to
"source oldff/leaprc.ff94"
and try to generate the top and crd files again.
All the best,
Pengfei
On Apr 23, 2015, at 12:12 AM, chemjxn <chemjxn.126.com> wrote:
> hello,
> I want to parameterize the Zn2+. First of all, I run the example (1amp) listed in the websit. But in the last step, I failed to get the crd and top files. Please help me! Thank you! The final tleap.out file is uploaded in the attachment.
>
> Canaan
> <1amp_oh.leaprc><1amp_oh_tleap.out>_______________________________________________
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Received on Thu Apr 23 2015 - 07:30:03 PDT
