VMD-L Mailing List

From: Matt Watkins (mattwatkinsuk_at_gmail.com)
Date: Wed Nov 17 2010 - 12:31:51 CST

Hi,

There should be an operator in the middle part of the loop, probably ($i < $n)

Matt

@axel sorry for just replying to you Axel

On Wed, Nov 17, 2010 at 4:39 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> On Wed, 2010-11-17 at 23:59 +0800, ³Ì²ŭÀû wrote:
>
> this looks like a cut-&-paste error,
> i.e. the space that you copied is not
> inserted as a "proper" ASCII space.
>
> try retyping the code by hand, especially the for loop
> header to see if it goes away.
>
> axel.
>
>> Hello all When I run an analysis script example in VMD ug , the screen
>> display :missing operator at _@_in expression "$i _@_$n". The
>> script is as follows(page 172,version 1.8.7) : #find waters near the
>> protein for each frame and writes a pdb file
>> proc waters_near_protein {} {
>> set sel [atomselect top "water and same residue as (within 2 of
>> protein)"]
>> set n [molinfo top get numframes]
>> for {set i 0} {$i $n} {incr i} {
>> $sel frame $i
>> $sel update
>> $sel writepdb water_$i.pdb }
>>
>> } I want to konw it is a bug or not, and how can I solve the
>> problem.
>>
>>
>>
>>
>> Best regards
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
>
>