Hi Alejandro,
Those scripts just will produce the two column files, then you can use them as input for xmgrace or gnuplot to get the plots.
Best,
Aldo
=======================================
Aldo Segura-Cabrera
Postdoctoral Fellow
Division of Experimental Hematology and Cancer Biology
Cancer and Blood Diseases Institute
Cincinnati Children's Hospital Medical Center
3333 Burnet Ave, MLC 7013, Cincinnati OH 45229
e-mail: Aldo.Segura-Cabrera.cchmc.org; aldosegura.gmail.com
=========================================
El Jueves, 20 de febrero, 2014 10:13:04, Javier Alejandro Rendon Carrillo <biotecnologo.rendon.gmail.com> escribió:
Hi DAC!
I´ve working in the MMPBSA.py method using a DNA-Protein complex, im
following this tutorial
http://ambermd.org/tutorials/advanced/tutorial3/section2.htm , now i have a
question after execute the pruduction
run.x how i get the plots of the the
density<
http://ambermd.org/tutorials/advanced/tutorial3/files/prod_summary.DENSITY>
, temperature<
http://ambermd.org/tutorials/advanced/tutorial3/files/prod_summary.TEMP>
, total energy<
http://ambermd.org/tutorials/advanced/tutorial3/files/prod_summary.ETOT>
and
backbone RMSD<
http://ambermd.org/tutorials/advanced/tutorial3/files/measure_prod_rmsd.ptraj>
.
should i use the same command line used before ./process_mdout.pl heat.out
density.out equil.out
what is the command line need to get the plots?
greetings!
--
LBG Javier Alejandro Rendón Carrillo
Laboratorio de Investigación y Desarrollo
Tel. (044) 81-80-52-05-76
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Received on Thu Feb 20 2014 - 08:00:02 PST
