[gmx-users] trjconv smoothing/averaging

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 13 15:28:38 CET 2001

On Thu, 13 Dec 2001, K.A.Feenstra wrote:

>Bert de Groot wrote:
>> no, that's not what I mean. I want to smooth the TRAJECTORY itself, not a
>> one-dimenisonal property (like e.g. the accessible surface) derived from it
>> (which could indeed be smoothed by xmgr(ace) as you mentioned).
>This has already been on the developers wish-list for some time.
>It should be quite trivial to implement, but none of us has found
>the time (or a strong enough reason) to do it. So we would be very
>grateful indeed if you could do it for us... ;-)

g_morph wil do the opposite, it interpolates between trajectories, also

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

More information about the gromacs.org_gmx-users mailing list