[GaMD-discuss] Restarting GAMD

[Mehrnoosh K. H. <meh...@jh...>]

Dear GAMD experts,

I was running a GAMD simulation for 2 microseconds in AMBER22, but the run crashed. Now, with irest = 1, and irest_gamd = 1, and using the following command, I'm trying to restart my job:
pmemd.cuda -i job4.in -o gamd4.out -p input.prmtop -c gamd3.ncrst -ref gamd3.ncrst -r gamd4.ncrst -x gamd4.nc -gamd gamd4.log
My first question is if I'm doing it correctly. And my second question is how to merge gamd3.log and gamd4.log to get the total log file. As I noticed, the gamd4.log starts again from the initial time (same as gamd3.log).

I appreciate any help.

Best regards,
Hazrati