VMD-L Mailing List

From: M K (mahyar.karimi20_at_gmail.com)
Date: Tue Oct 20 2015 - 20:08:49 CDT

like here:
https://sites.google.com/site/raminekhteiari/software/vmd

On Wed, Oct 21, 2015 at 12:04 PM, M K <mahyar.karimi20_at_gmail.com> wrote:

> This issue has been discussed before. Just search and you will find the
> code :)
>
> On Tue, Oct 20, 2015 at 8:36 AM, Chitrak Gupta <chgupta_at_mix.wvu.edu>
> wrote:
>
>> Hi Daniela,
>>
>> I believe something like this would work.
>>
>> set wat [atomselect top "water and same residue as within $dist of resid
>> $res"]
>> for {set i 0} {$i < $numframes} {incr i 1} {
>> animate goto $i
>> $wat frame $i
>> $wat update
>> puts [expr [$wat num]/3]
>> }
>>
>>
>> Best,
>> Chitrak.
>>
>> On Mon, Oct 19, 2015 at 4:05 PM, Daniela Rivas <dani.rivas.r_at_gmail.com>
>> wrote:
>>
>>> Hi,
>>>
>>> I have a trajectory file and I would like to plot the number of water
>>> molecules within a distance from a residue in time. I've been trying to
>>> figure out how to do it but I couldn't find anything.
>>>
>>> I hope you can help me.
>>>
>>> Thanks,
>>> Daniela.
>>>
>>
>>
>