> 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 ?
Yep. There's a nice section in the manual that broadly describes the function of all of the utility programs, and in there you will find trjcat and eneconv and others. > Hi, > I used "trjcat_d" for concatenating trajectory files (.trr) and > "eneconv_d" for merging energy files (.edr) The "_d" suffix is only needed for double precision. Mark _______________________________________________ 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
