Thank you sir but* still its not working.*
I am using AMBER 10
The error that is getting generated is:
[ruchika.coe SIMULATION]$ $tleap -s -f leaprc.ff99SB
-bash: -s: command not found
[ruchika.coe SIMULATION]$ $tleap -f leaprc.ff99SB
-bash: -f: command not found
[ruchika.coe SIMULATION]$ $tleap leaprc.ff99SB
-bash: /opt/apps/amber/10/openmpi-mkl/dat/leap/cmd/leaprc.ff99SB:
Permission denied
[ruchika.coe SIMULATION]$
On Fri, Nov 7, 2014 at 1:27 PM, Wei Ye <yw20055968.126.com> wrote:
> 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 - 01:30:03 PST
