[gmx-users] a query....

[Yang Ye]

Xavier Periole wrote:
> Yang Ye wrote:
>
>> X.Periole wrote:
>>
>>> On Sun, 29 Jan 2006 10:44:05 -0800 (PST)
>>>  <leafyoung81-group at yahoo.com> wrote:
>>>
>>>> Thanks for the reply.
>>>> I tried but found not straitforward in manipulating on the group 
>>>> level with make_ndx. It does a good job on spliting bigger group 
>>>> into smaller ones and select atoms (but what to do with selected 
>>>> atoms?). It is not clear in the online help. Or is it designed in 
>>>> such way?
>>>>
>>>
>>> I have used it at many occasions and always could do
>>> everything I wanted.
>>> two exemples:
>>> 1 & 2 : would select the atoms crossing the two groups 1 and 2.
>>> 1 | 2: would select atoms from two groups 1 and 2.
>>
>> how to create a new group with selected atoms?
>
> type the number of the existing group will define a new group 
> identical the
> the one selected !!!or type:
> a x-y : would select the atoms from number x to nymber y ..
Thanks. Above works. My question is how to combine two groups together 
to create new group with make_ndx. I have figured this out.

This is what I got after typing "1 & 2"

Copied index group 1 'group1'
Copied index group 2 'group2'
Merged two groups with AND: 635 637 -> 0
Group is empty

I noticed that line 3 has "-> 0" where "0" could be the default (or 
"temp") group no. So I followed with "0" in the next command. It creates 
a new group based on the result.
>
> XAvier
>

-- 
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/