Thanks a lot.
> On Dec 8, 2015, at 5:03 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> On Tue, Dec 8, 2015 at 2:22 PM, Osman, Roman <roman.osman.mssm.edu> wrote:
>>
>> Thanks, it all works now.
>> Perhaps the manual needs an update.
>
> I see what you mean. The syntax given in the manual is:
>
> hist <dataset_name>[,min,max,step,bins] ...
>
> which is a little misleading. It really should be:
>
> hist <dataset_name>[,<min>,<max>,<step>,<bins>] ...
>
> The idea here is you can either specify min, max etc on a per-dataset
> basis, e.g.
>
> hist set1,-10,10,*,20 set2,-180,180,1,* ...
>
> or use the 'min', 'max, 'step', and/or 'bins' keywords to set these
> values globally for all input data sets. Note however that in the
> first version there are no spaces between the data set names and the
> comma-separated arguments.
>
> Hope this helps clear things up,
>
> -Dan
>
>>
>> Rami
>>
>> On Dec 8, 2015, at 4:00 PM, Daniel Roe <daniel.r.roe.gmail.com<mailto:daniel.r.roe.gmail.com>> wrote:
>>
>> Hi,
>>
>> What happens if you remove the commas from your input?
>>
>> -Dan
>>
>> On Tue, Dec 8, 2015 at 1:59 PM, Osman, Roman <roman.osman.mssm.edu<mailto:roman.osman.mssm.edu>> wrote:
>> Hello,
>>
>> I wanted to report that there is probably a problem with the hist command in cpptraj of AmberTools15
>>
>> when I issue the following command:
>>
>> distance dr1 .6069 .751 out restraint.dat
>> hist dr1, min 11.0, max 14.0, step 0.1, bins 30 out hist_dr.agr
>>
>> cpptraj produces the file restraint.dat but stops with the following message (and does not produce the histogram):
>>
>> [distance dr1 .6069 .751 out restraint.dat]
>> DISTANCE: .6069 to .751, center of mass.
>> [hist dr1, min 11.0, max 14.0, step 0.1, bins 30 out hist_dr.agr]
>> Warning: Data set 'min' not found.
>>
>>
>> If I run it with AmberTools14 all works fine I get a correct histogram (I checked with another program).
>>
>> Thanks for your help,
>>
>> Roman Osman
>> Department of Structural and Chemical Biology
>> Mount Sinai School of Medicine
>> New York, NY 10029
>> Tel: 212-659-8627
>> Fax: 212-849-2456
>> e-mail: roman.osman.mssm.edu<mailto:roman.osman.mssm.edu><mailto:roman.osman.mssm.edu>
>>
>>
>>
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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
>> https://urldefense.proofpoint.com/v2/url?u=http-3A__home.chpc.utah.edu_-7Echeatham_&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=80h8gfWnXRd-mXPSrw98JBRjhncHe1Sopk2U91C1sZg&m=ffrUkfbQwMFaF6gyLDMW9Fd9Ie7eto9vd9qT_jPejwE&s=XXzUXCEnublBlAF2TGYyjhWcgPv38gxeVFnd8QsncXA&e=
>> (801) 587-9652
>> (801) 585-6208 (Fax)
>>
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>>
>> Roman Osman
>> Department of Structural and Chemical Biology
>> Mount Sinai School of Medicine
>> New York, NY 10029
>> Tel: 212-659-8627
>> Fax: 212-849-2456
>> e-mail: roman.osman.mssm.edu<mailto:roman.osman.mssm.edu>
>>
>>
>>
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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
> https://urldefense.proofpoint.com/v2/url?u=http-3A__home.chpc.utah.edu_-7Echeatham_&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=80h8gfWnXRd-mXPSrw98JBRjhncHe1Sopk2U91C1sZg&m=WM9-n7Tw_RazV6AUMiw77WhDtvHCZ05mbarCIRP2aQk&s=XZfOocLYlP-kr2HdL3msw-NE8cuouGtAaqUmftrDUzA&e=
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=80h8gfWnXRd-mXPSrw98JBRjhncHe1Sopk2U91C1sZg&m=WM9-n7Tw_RazV6AUMiw77WhDtvHCZ05mbarCIRP2aQk&s=bhJBrgeZ2usdQuPazCQ7rB1UT7ATALM1OWf3RfaFcx0&e=
Roman Osman
Department of Structural and Chemical Biology, Box 1677
Mount Sinai School of Medicine
New York, NY 10029
roman.osman.mssm.edu
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Received on Tue Dec 08 2015 - 17:00:03 PST
