Thanks
On Thu, Jun 20, 2013 at 5:32 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Should be fixed.
>
>
> On 6/20/13 1:15 AM, "Vaibhav Dixit" <vaibhavadixit.gmail.com> wrote:
>
> >Hi,
> >For some reason I unsubscribed from amber list, then joined again 2 days
> >ago.
> >But I am not getting the usual subject-wise message from amber rather a
> >cumbersome "AMBER Digest, Vol 547, Issue 1" kind of stuff.
> >
> >I checked in the mail options available, but could not figure out why this
> >is happening.
> >Please suggest how to receive "subject-wise" Amber list as earlier.
> >
> >A small portion of this Digest email is given below.
> >Thank you.
> >
> >Send AMBER mailing list submissions to
> > amber.ambermd.org
> >
> >To subscribe or unsubscribe via the World Wide Web, visit
> > http://lists.ambermd.org/mailman/listinfo/amber
> >or, via email, send a message with subject or body 'help' to
> > amber-request.ambermd.org
> >
> >You can reach the person managing the list at
> > amber-owner.ambermd.org
> >
> >When replying, please edit your Subject line so it is more specific
> >than "Re: Contents of AMBER digest..."
> >
> >
> >AMBER Mailing List Digest
> >
> >Today's Topics:
> >
> > 1. Re: Job stops due to INFO: Old style inpcrd file read
> > (Jason Swails)
> > 2. gaff atom type (inhee park)
> > 3. Re: Antechamber atom types and all_nuc94.in atom descriptions
> > (Kamali Sripathi)
> > 4. problem with tleap (Rejwan)
> > 5. Re: problem with tleap (Jason Swails)
> > 6. Re: Graphene topology from GAFF (Hector A. Baldoni)
> > 7. tleap has error by applying amber ff03ua (Chris Moth)
> > 8. Re: Graphene topology from GAFF (Dan Piraner)
> > 9. Re: problem with tleap (Rejwan)
> > 10. Re: MMPBSA.py and cpptraj error (Sorensen, Jesper)
> > 11. Re: MMPBSA.py and cpptraj error (Sorensen, Jesper)
> > 12. Re: Antechamber atom types and all_nuc94.in atom
> >descriptions
> > (FyD)
> > 13. Nonbond cells need to be recalculated, restart simulation
> > from previous checkpoint with a higher value for skinnb. (???)
> > 14. Re: MMPBSA.py and cpptraj error (Jason Swails)
> > 15. Re: Nonbond cells need to be recalculated, restart simulation
> > from previous checkpoint with a higher value for skinnb.
> > (Jason Swails)
> > 16. Re: Cellulose NVE with pmemd.cuda.MPI (Ross Walker)
> > 17. Re: tleap has error by applying amber ff03ua (David A Case)
> > 18. Re: Need a higher value for SKINNB (Hailin Huang)
> > 19. Re: A and Z-DNA (Collins Nganou)
> > 20. Re: A and Z-DNA (arnab bhattacharya)
> > 21. Re: A and Z-DNA (Collins Nganou)
> > 22. Re: qmcut in QM/MM simulation with AMBER/GAUSSIAN (Eric Berquist)
> > 23. Re: problem with tleap (Rejwan)
> > 24. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 25. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 26. Thanks (Hunter Brown)
> > 27. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Jonathan Gough)
> > 28. Curious behavior of cpptraj in ambertools 13.1 (Fabr?cio Bracht)
> > 29. Update 10 for AmberTools 13: CPPTRAJ (Daniel Roe)
> > 30. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 31. Re: Cellulose NVE with pmemd.cuda.MPI (Scott Le Grand)
> > 32. Re: Curious behavior of cpptraj in ambertools 13.1 (Daniel Roe)
> > 33. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 34. Re: ERROR: GPU runs fail with nfft Error only when running 2x
> > geforce TITANS in same machine (Scott Le Grand)
> > 35. Re: Need a higher value for SKINNB (Scott Le Grand)
> > 36. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 37. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 38. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 39. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 40. Re: Curious behavior of cpptraj in ambertools 13.1 (Jason Swails)
> > 41. Re: Need a higher value for SKINNB (Hailin Huang)
> > 42. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Daniel Roe)
> > 43. Experiences with GTX 780 in the framework of Amber
> > calculations ? (Marek Maly)
> > 44. Re: Update 10 for AmberTools 13: CPPTRAJ (Jan-Philip Gehrcke)
> > 45. Difficulty running sander (Hunter Brown)
> > 46. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Robert Konecny)
> > 47. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 48. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Marek Maly)
> > 49. Re: Protein leaving periodic box (Hailin Huang)
> > 50. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 51. NAB extract residue from molecule (Le,Huy Tuan)
> > 52. Re: Experiences with GTX 780 in the framework of Amber
> > calculations ? (Gould, Ian R)
> > 53. Re: experiences with EVGA GTX TITAN Superclocked - memtestG80
> > - UNDERclocking in Linux ? (Scott Le Grand)
> > 54. Re: Experiences with GTX 780 in the framework of Amber
> > calculations ? (Gould, Ian R)
> > 55. Re: Experiences with GTX 780 in the framework of Amber
> > calculations ? (Scott Le Grand)
> > 56. Re: Need a higher value for SKINNB (Scott Le Grand)
> >
> >
> >----------------------------------------------------------------------
> >
> >Message: 1
> >Date: Tue, 18 Jun 2013 15:03:29 -0400
> >From: Jason Swails <jason.swails.gmail.com>
> >Subject: Re: [AMBER] Job stops due to INFO: Old style inpcrd file read
> >To: AMBER Mailing List <amber.ambermd.org>
> >Message-ID:
> ><CAEk9e3q8k_-yHgNo=n9_uxAQKWaYW+x=rG9q6LVU-x+gZ1UpBA.mail.gmail.com>
> >Content-Type: text/plain; charset=ISO-8859-1
> >
> >On Tue, Jun 18, 2013 at 2:23 PM, Aditya Padhi <adi.uoh.gmail.com> wrote:
> >
> >> Hi Jason,
> >> Thanks for the quick reply and the suggestion about the cutoff. But
> >>I
> >> would like to bring to your attention that I have a simple protein
> >> (basically a single protein, not a complex). Although I tried to run the
> >> simulation with a higher cut-off as you suggested, the error massage is
> >> again the same that I posted in my previous mail and eDo you have
> >ventually
> >> the job stops. Do you have any comment on this? Shall I modify or do
> >>some
> >> additional stuffs here?
> >--
> >With Regards.
> >
> >Dr. Vaibhav A. Dixit,
> >Postdoctoral Reserach Scientist,
> >Etherow F40/6,
> >AstraZeneca,
> >Charter Way,
> >Silk Road Business Park,
> >Macclesfield,
> >Cheshire,
> >England,
> >SK10 2NX
> >Ext. No. 20278
> >Moblie Number: +44 (0) 7448233157
> >
> >Please consider the environment before printing this e-mail
> >_______________________________________________
> >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
>
--
With Regards.
Dr. Vaibhav A. Dixit,
Postdoctoral Reserach Scientist,
Etherow F40/6,
AstraZeneca,
Charter Way,
Silk Road Business Park,
Macclesfield,
Cheshire,
England,
SK10 2NX
Ext. No. 20278
Moblie Number: +44 (0) 7448233157
Please consider the environment before printing this e-mail
_______________________________________________
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AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 21 2013 - 01:00:02 PDT
