From: JT (jtibbitt_at_odu.edu)
Date: Tue Apr 07 2009 - 18:53:38 CDT
Well, it might take alot of disk space, but you can do it by telling
NAMD to write out every step into the output DCD, then use catdcd to
splice together the desired trajectory.
On Apr 7, 2009, at 3:29 PM, Goutham wrote:
> I thought NAMD can read TCL scripts in the config file.. Wouldn't
> that work?
> A tcl script to modify the dcd write frequency?
>
> On Tue, Apr 7, 2009 at 5:45 AM, Axel Kohlmeyer <akohlmey_at_gmail.com>
> wrote:
>
>> On Tue, Apr 7, 2009 at 6:24 AM, Mert Gür <gurmert_at_gmail.com> wrote:
>>> Hi everyone!
>>>
>>> I want to write the coordinates of 3 subsequent time frames into
>>> my DCD
>>> file.
>>>
>>> For example
>>>
>>> Lets say I have a DCD writing frequency of every 100th step. Hence
>>> I am
>>> writing the coordinates for the 100.time step and then for the 200.
>>> timestep......
>>>
>>> But what I need to do is to write my coordinates for the 100.,
>>> 101, 102
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