Seems that you type the "$"?
That is the prompt, not for you to type.
What you should type in the command line is:
tleap -s -f leaprc.ff99SB
Also, I suggest you read some starting tutorials of linux.
Best,
Wei Ye, PhD Candidate
Department of Bioinformatics and Biostatistics,
School of Life Science,
Shanghai Jiaotong University,
800 Dongchuan RD, Shanghai, China.
Email: yw20055968.126.com
在2014年11月07 17时00分, "Ruchika Bhat"<ruchikabhat31.gmail.com>写道:
Thank you sir but* still its not working.*
I am using AMBER 10
The error that is getting generated is:
[ruchika.coe SIMULATION]$ $tleap -s -f leaprc.ff99SB
-bash: -s: command not found
[ruchika.coe SIMULATION]$ $tleap -f leaprc.ff99SB
-bash: -f: command not found
[ruchika.coe SIMULATION]$ $tleap leaprc.ff99SB
-bash: /opt/apps/amber/10/openmpi-mkl/dat/leap/cmd/leaprc.ff99SB:
Permission denied
[ruchika.coe SIMULATION]$
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 - 05:00:02 PST
