Joern Lenz wrote: > dear gromacs users, > > i have the following problem: > I want to simulate a protein fragmet (about 500 aa) together with a dsDNA > fragment (20 bp) in a cubic box solvated with water molecules. > I tried to run this simulation for several times for about 2000 ps but our > cpu > cluster always makes problems. > So I thought of splitting the simulation in steps of smaller length. > > Is there a possibility to merge e.g. ten simulations of 200 ps into one > simulation of 2000 ps without loosing any information of the trr or edr > or ... or ... files ? > > Thank you very much in advance > and have a happy christmas .. > Greetings > Joern > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
Hi, I used "trjcat_d" for concatenating trajectory files (.trr) and "eneconv_d" for merging energy files (.edr) I hope it helped. Caterina -- Caterina Arcangeli ENEA, Computing and Modelling Unit (CAMO) Casaccia Research Center - Post Bag 026 Via Anguillarese 301 - 00060 Roma phone +39 06.3048.6898 fax +39 06.3048.6860 http://www.enea.it _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
