Re: Tcl "loadtotalforces" question (forces never seem to be saved)

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Sun Feb 17 2008 - 12:39:01 CST

Hi Chris,
I think it was just bad luck - if I remember correctly, that feature
was first included in NAMD 2.6b2.

I'll take the occasion to remind our fellow NAMD users to always give
the latest version a try if problems arise! And of course, when
reporting the problem, state which version you are using, as Chris
did.

Best,
Jerome

On Feb 17, 2008 12:51 PM, Christopher Calderon <calderon_at_rice.edu> wrote:
> Dear NAMD users,
>
> I noticed that some others have posted question related to
> "loadtotalforces", but i cannot seem to get the posted solutions to
> work either. My problem is in calling this loadtotalforces command in
> a tcl script (the two lines below contained in my "calcforces"
> procedure).
>
> -----------------------------------------------------------------------------------------------------------------
>
> loadtotalforces pp
> if {[array exists pp]} {
> print "Coordinate success"
> } else {
> print "Coordinate Failure"
> }
>
> loadcoords pp
> if {[array exists pp]} {
> print "Force success"
> } else {
> print "Force Failure"
> }
>
> -----------------------------------------------------------------------------------------------------------------
>
> the loadcoords prints "Success" at every timestep whereas the
> loadtotalforces command prints "Failure" for each time step. do you
> need to do something either in the input file or in the tcl script to
> let namd know to save the forces from previous time steps for a
> loadtotalforces call?
>
> i am using namd 2.6b1 and i have encountered this problem on both unix
> and windows versions of this code. any help in getting this to work
> would be appreciated.
>
> thanks,
> chris
>
>

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