Re: dcd to pdb conversion

Date: Wed Jan 04 2017 - 06:26:49 CST

Its very simple.

Load the pdb along with dcd in vmd

Use a variable to store your selection like :

set t [atomselect top "fragment 1 or fragment 2"]

$t writepdb t.pdb

You can also use frame number in atomselect command and for loop can be implemented to convert all frames at once.

I would recommend that you first learn vmd properly.

On Wed, Jan 4, 2017 at 5:49 PM +0530, "Srijita Paul" <> wrote:

I am using a system which contains 4 different types of molecule.Now I want to extract coordinates of any two kind of molecules among the 4 molecules from the dcd file to a pdb file.I have one tcl script to convert dcd to pdb which is attached here but it is working only for one molecule or for all molecules.Is there any way to select two different moleule or resname in the script?

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