VMD-L Mailing List

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Wed Jan 14 2009 - 15:02:25 CST

Dear all,
Regarding what I found on a previous message from Axel Kohlmeyer

>data fields like mass, charge, beta, occupancy are stored
>once per molecule. the only data fields that are once per
>time step are x, y, z, and user. only the latest alpha test
>versions add to this (e.g. multiple user files and velocities).

I would like to know

1- Which is the alpha test version that he is referring to?
2- I think that also ufx, ufy and ufz are stored once per time step. Is
there any problem on using these?
3- It would be very nice to be able to save this data in a file in such
a way that it could be easily restored and loaded along with the dcd
file. Is there such a feature in vmd?

Best regards
Cesar Avila