Hi Ruchika,
If you are not using amber14, please delete the "oldoff/".
just type:
$tleap -s -f leaprc.ff99SB
Alternatively, you can use the absolute path to point to the force field file.
HTH,
Wei.
在2014年11月07 14时53分, "Ruchika Bhat"<ruchikabhat31.gmail.com>写道:
Hello Amber Users,
I am trying to do protein drug interaction study using MD simulations.
But after the tleap step given in this tutorial:
http://ambermd.org/tutorials/basic/tutorial4b/
*$ tleap -f oldff/leaprc.ff99SB*
I get an error as:
Could not open file oldff/leaprc.ff99SB: not found
>
Even if I proceed forward it's not able to read the atom types.
Please suggest me what could be the possible mistake and how can I rectify.
Thanks
Regards,
Ruchika
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Received on Fri Nov 07 2014 - 00:00:02 PST
