I think you just say
{within(3.0, [lig])}.temperature= 3.0
or
{within(3.0, [lig])}.partialCharge = 0.3
On Mon, Dec 8, 2008 at 7:45 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote:
> Hi Bob,
>
> Is there a script command I can use to add values for the temperature
> property of the selected ato
Hi Bob,
Is there a script command I can use to add values for the temperature
property of the selected atoms in a protein? For example, I would like
to select atoms at a certain distance from a ligand using 'select
within...', and then give those atoms a value for temperature, then
convert
2 matches
Mail list logo