From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Mon May 16 2016 - 17:31:31 CDT
Dear NAMD users,
I need to perform a simulation for about 30 ns and I want to know if it is
reasonable to devide the simulation in 6 steps each step is performed for 5
ns? and can I combine the results of 6 different simulations together?
I run a simulation (NPT) for 5 ns and I did not get error, but when I
submitted the second simulation using the restart.coor, .vel, and .xsc
files of previous simulation after 64000 steps I got the "constraint
failure" error which is usually because of bad initial structure, while I
started the simulation from a successful NPT simulation.
Any help will be appreciated!
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