Rebeca García Fandiño wrote:
Hello,
I have some old calculations (Umbrella Sampling) carried with Gromacs
3.3.3 and I need to extend them.
I have tried to use the option "append" like in Gromacs 4.0, using:
mdrun -v -np 8 -s Cl-2.4750_b.tpr -pi Cl-2.4750.ppa -po pullout.ppa -pn
Cl-2.4750.ndx -pd -deffnm Cl-2.4750 -append
but it does not work, the output files are not appended to the first ones.
Right, because the -append option was added in version 4.0.
Do you know how could append files in Gromacs 3.3?
Text files can be appended with standard Unix utilities like 'cat' while other
Gromacs output files can be appended with other Gromacs utilities (trjcat for
trajectories, eneconv for energy files).
-Justin
Thanks a lot for your help in advance.
Best wishes,
Rebeca.
Dr.Rebeca Garcia
Postdoctoral student
Santiago de Compostela University
Spain
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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