Re: Dihedral colvar

Date: Fri Sep 08 2017 - 08:44:31 CDT

Dear Jerome,

Thank you for your fast reply. According to your script the "cv" command is
accesible in vmd as per I know or I might be completely not understand
well. If possible give some insights.
I have written one tcl colvar configuration file using four types atom
index which were saved in ".dat" file and run in loop. But when I run this,
error shoing that "keyword "set" is not supported". Does "tcl" not
accessible to colvar?

Kindly enlighten this matter.


On Mon, Sep 4, 2017 at 6:10 PM, Jérôme Hénin <> wrote:

> Hi Priti,
> If I understand you correctly, you want to define a series of 50 dihedral
> restraints. You will need to define one separate colvar for each angle, but
> you don't have to write them separately. That can be scripted using a Tcl
> loop:
> for {set i 0} { $i < 50 } {incr i} {
> cv config "colvar { dihedral ... }"
> }
> Where the colvar block contains the details of the dihedral angle. You can
> use variable $i inside the block to define the specifics of each angle.
> Best,
> Jerome
> On 4 September 2017 at 13:08, PRITI ROY <> wrote:
>> Dear all,
>> I would like to do dihedral restrain using the colvar module of nearly 50
>> residues. I have gone through the colvar module. In dihedral colvar, there
>> are four group selection which are for atoms and depending on 1st group it
>> denote the particular dihedral angel. Basically this module describe in
>> light of atoms.
>> How could I define this dihedral colvar for residues?
>> Please give some idea to resolve my problem.
>> Thanks,
>> Priti

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