[AMBER] DRUG_PROTEIN INTERACTIOM

From: Ruchika Bhat <ruchikabhat31.gmail.com>
Date: Fri, 7 Nov 2014 12:23:11 +0530

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 Thu Nov 06 2014 - 23:00:02 PST
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