AMBER Archive (2006)

Subject: Re: AMBER: sander error: rst file crash

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 10 2006 - 15:11:15 CST

On Fri, Nov 10, 2006, jitrayut jitonnom wrote:
>
> equil.rst
>
> end of file
>
> 0.1158442 0.0034209 -0.1880667 -0.2611832 0.6159938 0.0356480
> -0.1702497 0.0834863 -0.0236473 0.0219285 -0.0337172 0.0520130
> -0.2057171 0.0938851 0.4554208 0.1215038 -0.4387970 -0.1657079
> -0.2094962 -0.0511841 -0.1332011 0.2905402 0.5463824 -0.3891711
> -0.4897937 -0.5227692 -0.0726845 -0.1418198 -0.0038642 0.1778031
> 0.2470789 -0.1056579 -0.1661152 1.0015408 -0.4809184 0.0302057
> -0.2518932 0.1004485 0.1605738 -0.9706663 -0.8502000 -0.0749598
> -0.4526771 -0.1580437 0.1467325 -0.0083844 0.1081232 0.1225735
> 0.2637010 -0.7594001 0.5247114 -0.2783051 0.8794519 -0.2053294
> -0.2813098 0.1164523 -0.2792391 0.5998864 0.6746857 -0.2420203
> 0.4517652 -0.8129144 -0.3797197 0.1574909 -0.0732390 0.0087053
> -0.0653241 -0.0394696 0.2901497 0.0858859 -0.1262879 0.0460561
> -0.3345731 -0.2164283 -0.4103812 0.0138714 0.5943789 -0.4453507
> -0.3056044 -0.2171315 0.4107326 -0.0049606 -0.1484431 -0.0739576
> -0.2638457 0.0315161

It doesn't look like you have any box information at the end of the restart
file, but this is required for periodic runs. You need to think about how you
constructed the equil.rst file.

...good luck...dac

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