I am attaching the input protocol file or production run input file.
On Tue, Oct 10, 2017 at 6:39 PM, Elvis Martis <elvis.martis.bcp.edu.in>
wrote:
> 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
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/octet-stream attachment: prod.in
Received on Tue Oct 10 2017 - 07:00:04 PDT
