Hi. I used editconf to replicate a small lipid bilayer patch, after editing the topology file I'm able to simulate it. I have one small question/issue.
I would like to use g_membed to add a large molecule into the water section (SOL) but editconf operates in such a way that it just replicates the initial system, thus my SOL section is not continuous but is scattered all over the GRO file hence the command fails. Is there a smart way to "reorder" so the SOL section would be continuous*? How does GROMPP parse the GRO file? The topology file now looks like this: A 34345 B 25 SOL 10000 A 34345 B 25 SOL 10000 ... Thanks in advance, Jernej Zidar -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * 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/Support/Mailing_Lists
