VMD-L Mailing List

From: Nicola Giacche' (nicolag_at_chimfarm.unipg.it)
Date: Tue Dec 15 2009 - 05:25:01 CST

Hi,

I'm trying to use the hbonds.tcl script, I would calculate
protein-ligand hbonds along the trajectory.
I have loaded the pdb and the trr files, then I have wrote "source
path/hbonds" in the command-line windows and then I have wrote "hbonds
-sel1 protein -sel2 "resname UNK" ...options", but I have received:
"invalid command name "protein"".
While with "hbonds -sel1 -sel2 "resname UNK" the result was "error: odd
number of arguments -sel1 -sel2 {resname UNK}".
I have tried every kind of syntax of the selection but always with the
same result.
I don't understand where is the error, it seems that there is a problem
with "-sel1" selection.
In the web i have not found any answer for this case, it is possible
that the command-line script has a bug?

thank you for the attention

Nicola 

-- 
Nicola Giacchè,
PhD Student
Bachelor Degree in Medicinal Chemistry and Technology of Drugs
University of Perugia
Department of Medicinal Chemistry and Technology of Drugs
Via del Liceo, 1 - 06123 Perugia (Italy)
Tel ++39 075 585 5169/5156
E-mail: nicolag_at_chimfarm.unipg.it