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 - 06:30:04 PST
