Re: [AMBER] Problem with stripped combined mdcrd files

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 11 Jun 2015 23:14:36 -0400

hi

On Thu, Jun 11, 2015 at 10:48 PM, Soong Jiaxin <jiaxinsoong.gmail.com>
wrote:

> Hi all,
>
> I'm facing problem with my stripped combined mdcrd files. I found out that
> the number of frames has been reduced from 5000 frames to 4989 frames after
> stripping the water molecules and ions.


can you post the cpptraj's output + your system info, ...?


> Other than that, I also discovered
> that the size of combined mdcrd files post stripping is 275.6MB. However,
> the size of combined mdcrd files before stripping is 4.2GB.


yes, the size of water-stripped traj should be much smaller.


> My concern is
> this normal or is it going to affect my result when I used the stripped
> files to extract the average structure? How do I solve this problem?
>
> I'd appreciate any help or comment.
>
> Vanessa.
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Received on Thu Jun 11 2015 - 20:30:02 PDT
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