VMD-L Mailing List

From: Anthony Cruz (acb15885_at_uprm.edu)
Date: Thu Dec 01 2005 - 15:09:07 CST

Hi:
I am trying to calculate the amount of water inside and around a protein. I
trying this :

$bin is the variable that will be changing

atomselect macro w1 {waters within $bin of protein}
atomselect macro w2 {waters within 1.05 of w1}
atomselect macro w3 {waters within 1.05 of w2}
set binsel [atomselect top "w3" frame $i]

when I try the first macro this is what I got:

vmd>set bin 3
3
vmd > atomselect macro w1 {waters within $bin of protein}
syntax error
ERROR) Macro 'waters within $bin of protein' cannot be parsed.
Unable to create macro for 'w1'
vmd >

What could be the problem???

Thanks

Anthony