[AMBER] query regarding the restart file of molecular dynamics simulation

From: Leena Aggarwal <leena.hrc.gmail.com>
Date: Tue, 10 Oct 2017 18:10:03 +0530

I am getting '********************' in the restart file. So, while
resubmitting the simulation it is showing the error : "getting new box info
from bottom of inpcrd
INFO : old style inpcrd file read".

"************" error in restart file.
************-392.8431438 141.4329232************-393.5314779 142.1394832
************-392.6209402 141.4041265 512.3461308 -57.5257819 296.9723761
 559.7273926-176.5667776************ 560.1020382-176.1418198************
 559.0035464-175.9871851************ 156.3070715 146.8340440 417.5014573
 155.9575107 183.8644124-287.7859939************ 128.6822810 -44.4453453
************ 127.7639674 -44.0672594************ 128.8132441 -44.7128400
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 10 2017 - 06:00:03 PDT
Custom Search