VMD-L Mailing List

From: Gianfranco Abrusci (gianfranco.abrusci_at_unitn.it)
Date: Mon Sep 16 2019 - 12:37:00 CDT

Did you try "exwithin" like in "qwikmd_hetero exwithin 5 of protein"? As
far as I know it should not include the selection after "within". Moreover,
I think that "qwikmd_hetero within 5 of protein and not protein" is read as
"qwikmd_hetero within 5 of (protein and not protein)", and in parenthesis
the set is empty.

G.A.

Il giorno lun 16 set 2019 alle ore 18:09 Ashma Khan <ashmakhan200_at_gmail.com>
ha scritto:

> By flag "and not protein" it show nothing
>
> On Mon, Sep 16, 2019, 3:47 PM Ashma Khan <ashmakhan200_at_gmail.com> wrote:
>
>> Dear Sir,
>> I want to calculate the osmolyte molecules at certain distance from the
>> protein surface. So, I use qwikmd_hetero within 5 of protein, but I get
>> osmolyte molecules as well as some protein molecules also in every
>> frames.Please provide me suitable solution for calculating only osmolyte
>> molecules
>>
> 

-- 
Gianfranco Abrusci