[gmx-users] Regarding creation of mixture of molecules..

[Alex]

Mark is a very polite person from what I've seen over a pretty long 
time. I will be a little more direct: this mailing list is not to ask 
people to "kindly" do your job for you. It is incredibly disrespectful 
and no one here will help with this.

Alex


On 2/19/2017 12:10 PM, Dilip H N wrote:
> couldnt get u mark..
> can u kindly elaborate it..in detail..kindly..
>
>
>
>
>    <https://mailtrack.io/>Sent with Mailtrack
> <https://mailtrack.io/install?source=signature&lang=en&referral=cy16f01.dilip@nitk.edu.in&idSignature=22>
>
> On Mon, Feb 20, 2017 at 12:25 AM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
>> Hi,
>>
>> You choose a suitable force field, use the tools that suit it to generate a
>> topology and/or parameters. Then make a mixture using any of various
>> techniques, including the one google will find on the Gromacs webpage. Then
>> make sure all the residue naming and atom ordering matches - but this is
>> the easiest part!
>>
>> Mark
>>
>> On Sun, 19 Feb 2017 10:21 Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:
>>
>> how can i create a mixture of molecules in avogadro software and save it as
>> .pdb
>> ex. mixture of ammonia and water...
>> and wht r the residues for ammonia and water...?
>> and wht r the forcefeild tht i need tto search these mixtures..??
>> Or create a mixture using any other software..?
>> and get the proper residue to create a topology file in gromacs
>>
>>
>>    <https://mailtrack.io/>Sent with Mailtrack
>> <
>> https://mailtrack.io/install?source=signature&lang=en&
>> referral=cy16f01.dilip at nitk.edu.in&idSignature=22
>> On Fri, Feb 17, 2017 at 4:27 PM, Dilip H N <cy16f01.dilip at nitk.edu.in>
>> wrote:
>>
>>> how can i create a mixture of molecules in avogadro software and save it
>>> as .pdb
>>> ex. mixture of ammonia and water...
>>> and wht r the residues for ammonia and water...?
>>> and wht r the forcefeild tht i need tto search these mixtures..??
>>>
>>> --
>>> With Best Regards,
>>>
>>> DILIP.H.N
>>> Research Scholar,
>>> Department of Chemistry, NITK.
>>>
>>>
>>>
>>>    <https://mailtrack.io/>Sent with Mailtrack
>>> <
>> https://mailtrack.io/install?source=signature&lang=en&
>> referral=cy16f01.dilip at nitk.edu.in&idSignature=22
>>>
>>
>>
>> --
>> With Best Regards,
>>
>> DILIP.H.N
>> Research Scholar,
>> Department of Chemistry, NITK.
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send
>> a mail to gmx-users-request at gromacs.org.
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/
>> Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>
>
>