From: Jiao, Dian NMN (-EXP) (dnjiao_at_sandia.gov)
Date: Wed Apr 04 2012 - 17:29:26 CDT
Hi,
Is there a way to edit the restart.coor file? It should be the file that has the coordinates of all the atoms, right? I wanted to modify the position of a sodium after the system has been equilibrated and start a new run. In stead of placing the ion at a new position and equilibrate it from the very beginning, it'd be easier to just make small changes to the restart coordinates. Maybe it still needs to be equilibrated at least locally around the sodium's new location, it would save a lot of time. Thanks
Dian
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