Hi,
I believe you should use gzip command after executing sander.
> $AMBERHOME/bin/sander -O -i heat.in -o heat.out -p ComplexUnchargeSolvated.prmtop -c min.rst \-r heat.rst -x heat.mdcrd -ref min.rst;
> gzip -9 heat.mdcrd
should be the command.
Best,
Batuhan
> On 27 Feb 2016, at 15:27, Mahdieh Hadi <mahdieh.hadi.bric.ku.dk> wrote:
>
> Hi,
> Based on A3 Tutorial, I use the below command in sander:
>
>
> $AMBERHOME/bin/sander -O -i heat.in -o heat.out -p ComplexUnchargeSolvated.prmtop -c min.rst \-r heat.rst -x heat.mdcrd -ref min.rst gzip -9 heat.mdcrd
>
>
> But I encounter the following error:
>
>
> mdfil: Error unknown flag: gzip
>
>
> usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
>
> [-ref refc -x mdcrd -v mdvel -e mden -frc mdfrc -idip inpdip -rdip rstdip -mdip mddip
>
> -inf mdinfo -radii radii -y inptraj -amd amd.log -scaledMD scaledMD.log] -cph-data <file>
>
> Consult the manual for additional options.
>
>
> When I removed the gzip -9 heat.mdcrd, the error is solved!
>
> What is the problem? What should I do?
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Received on Sat Feb 27 2016 - 07:00:04 PST
