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Thanks a lot for your quick answer!<br>Best wishes,<br>Rebeca.<br><br><div>> Date: Wed, 10 Aug 2011 14:34:42 -0400<br>> From: jalemkul@vt.edu<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] append files in Gromacs 3.3<br>> <br>> <br>> <br>> Rebeca García Fandiño wrote:<br>> > Hello,<br>> > I have some old calculations (Umbrella Sampling) carried with Gromacs <br>> > 3.3.3 and I need to extend them.<br>> > I have tried to use the option "append" like in Gromacs 4.0, using:<br>> > <br>> > mdrun -v -np 8 -s Cl-2.4750_b.tpr -pi Cl-2.4750.ppa -po pullout.ppa -pn <br>> > Cl-2.4750.ndx -pd -deffnm Cl-2.4750 -append<br>> > <br>> > but it does not work, the output files are not appended to the first ones.<br>> > <br>> <br>> Right, because the -append option was added in version 4.0.<br>> <br>> > Do you know how could append files in Gromacs 3.3?<br>> > <br>> <br>> Text files can be appended with standard Unix utilities like 'cat' while other <br>> Gromacs output files can be appended with other Gromacs utilities (trjcat for <br>> trajectories, eneconv for energy files).<br>> <br>> -Justin<br>> <br>> > Thanks a lot for your help in advance.<br>> > <br>> > Best wishes,<br>> > <br>> > Rebeca.<br>> > <br>> > Dr.Rebeca Garcia<br>> > Postdoctoral student<br>> > Santiago de Compostela University<br>> > Spain<br>> > <br>> <br>> -- <br>> ========================================<br>> <br>> Justin A. Lemkul<br>> Ph.D. Candidate<br>> ICTAS Doctoral Scholar<br>> MILES-IGERT Trainee<br>> Department of Biochemistry<br>> Virginia Tech<br>> Blacksburg, VA<br>> jalemkul[at]vt.edu | (540) 231-9080<br>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br>> <br>> ========================================<br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br></div> </div></body>
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