[gmx-users] topology

[Justin Lemkul]

On 5/29/18 3:39 PM, mostafa paknia wrote:
> you said "The drug topology (.itp) can then be #included
>
> within the .top file generated for the CNT.
> "
> ?but how
> that's Complicated for me
> I need more help if it's possible for you

I suggest with learning to handle simpler systems first. Learn how to 
make the CNT topology and make sure you can simulate that. Study the 
GROMACS manual and tutorials to learn about topology format, contents, 
and manipulation. Learn to walk before you run - what you're trying to 
do is complex and is certainly prone to mistakes if you don't know what 
you're doing.

-Justin

> 2018-05-29 22:41 GMT+03:30 Justin Lemkul <jalemkul at vt.edu>:
>>
>> On 5/29/18 3:08 PM, mostafa paknia wrote:
>>> Hi
>>> I have two topology files already
>>> One of them is CNT's topology & otherone is a drug topology
>>> I want to make them just one
>>> How can i do that
>>
>> I already answered this a few days ago:
>>
>> https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-May/120487.html
>>
>> -Justin
>>
>> --
>> ==================================================
>>
>> Justin A. Lemkul, Ph.D.
>> Assistant Professor
>> Virginia Tech Department of Biochemistry
>>
>> 303 Engel Hall
>> 340 West Campus Dr.
>> Blacksburg, VA 24061
>>
>> jalemkul at vt.edu | (540) 231-3129
>> http://www.thelemkullab.com
>>
>> ==================================================
>>

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

==================================================