[gmx-users] overcome the integration problem (installing CVS)
David van der Spoel
spoel at xray.bmc.uu.se
Wed Apr 11 12:13:13 CEST 2007
Yang Ye wrote:
>
>
> On 4/11/2007 5:52 PM, Dr Itamar Kass wrote:
>> Shalom all,
>>
>> To my best understanding, there is a correction to the single precision
>> integration problem ("A common, avoidable source of error in molecular
>> dynamics integrators"
>> J. Chem. Phys. 126, 046101 (2007).) at the CVS.
>>
>> I want to know were can I get it and how to install it. First, the
>> GROMACS site is down now. Second from the bit I have read, it is not
>> clear to me how to install the stable CVS and not an experimentally
>> version.
>>
>>
> Stable version:
> cvs -z3 -d :pserver:anoncvs at cvs.gromacs.org:/home/gmx/cvs login
> cvs -z3 -d :pserver:anoncvs at cvs.gromacs.org:/home/gmx/cvs co -r
> release-3-3-patches gmx
>
> HEAD Branch
> cvs -z3 -d :pserver:anoncvs at cvs.gromacs.org:/home/gmx/cvs login
> cvs -z3 -d :pserver:anoncvs at cvs.gromacs.org:/home/gmx/cvs co gmx
>
>> Best,
>> Itamar
>>
The stable version does not have the fix (because it will change results).
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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