Is 17500 the total # of input frames?
I'll have to try and reproduce this behavior before I can figure out what's
going on. It may be because after stripping all the water, each system
looks the same. In that case (and if you need each system split by
'trajin') you could achieve this with a combination of 'createcrd' and
crdout, e.g.
strip ...
createcrd MyCrd
crdout ura0_SPC.crd crdframes 0,2500
crdout ura1_SPC.crd crdframes 2501,5000
etc.
In the meantime I will try to figure out why you're seeing the behavior
you're seeing. Thanks.
-Dan
On Mon, Jun 29, 2015 at 2:46 PM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
wrote:
> Hi Daniel,
>
> parm 0system/md_out/0SPC.top
> parm 10system/md_out/10SPC.top
> parm 20system/md_out/20SPC.top
> parm 30system/md_out/30SPC.top
> parm 40system/md_out/40SPC.top
> parm 50system/md_out/50SPC.top
>
> #load trajectory
>
> trajin 0system/md_out/md_file/6_md5_0SPC.crd
> trajin 10system/md_out/md_file/6_md5_10SPC.crd parmindex 1
> trajin 20system/md_out/md_file/6_md5_20SPC.crd parmindex 2
> trajin 30system/md_out/md_file/6_md5_30SPC.crd parmindex 3
> trajin 40system/md_out/md_file/6_md5_40SPC.crd parmindex 4
> trajin 50system/md_out/md_file/6_md5_50SPC.crd parmindex 5
>
> #Action command
>
> strip :SPC outprefix nowater
>
> trajout ura_0SPC.crd
> trajout ura_10SPC.crd parmindex 1
> trajout ura_20SPC.crd parmindex 2
> trajout ura_30SPC.crd parmindex 3
> trajout ura_40SPC.crd parmindex 4
> trajout ura_50SPC.crd parmindex 5
>
> The above combination of command is working perfectly but I am getting more
> no of frame from input frame. Except one last system.
> All the system have 2500 frame, summary of output frame is given below
> output frame
> trajout ura_0SPC.crd 17500
> trajout ura_10SPC.crd 15000
> trajout ura_20SPC.crd 12500
> trajout ura_30SPC.crd 10000
> trajout ura_40SPC.crd 10000
> trajout ura_50SPC.crd 2500
>
> Thanks
> Rahman
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Jun 29 2015 - 14:30:03 PDT
