VMD-L Mailing List

From: wmsmith (wmsmith_at_csupomona.edu)
Date: Mon Jul 11 2005 - 12:03:52 CDT

VMD would probably be the easiest, partly because VMD already has built-in
atom selection routines, where as in NAMD selecting atoms is somewhat more
difficult. I believe the ufx, ufy, and ufz commands can be used to get and set
user applied forces on atoms during a simulation for VMD scripts.

>===== Original Message From Charles Moad <cmoad_at_indiana.edu> =====
>I am not quite sure how I would approach this. Would the tcl script be
>executed in vmd, or would I have to write it on the namd side (in the
>configuration file)? Any advice would be greatly appreciated.
>
>- Charlie
>
>wmsmith wrote:
>> I haven't done any work with a phantom device, but I am working on how to
>> rotate a segment. As near as i can tell, only translational forces can be
>> applied. A rotational force can be represented in terms of translational
>> forces directed about an axis of rotation. Implementing that requires
writting
>> a Tcl script though.
>>
>>
>>>===== Original Message From Charles Moad <cmoad_at_indiana.edu> =====
>>> Has any work been done on applying 6dof input forces from a phantom
>>>device to 3 or more atoms? applying rotational forces to a segment? I
>>>can only find info on translational forces.
>>>
>>>Thanks,
>>> Charlie
>>
>>
>>
>>