HI,
Can you also send you input protocol file?
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: Leena Aggarwal <leena.hrc.gmail.com>
Sent: 10 October 2017 18:10
To: amber.ambermd.org
Subject: [AMBER] query regarding the restart file of molecular dynamics simulation
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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 10 2017 - 06:30:04 PDT
