jalemkul at vt.edu
Wed May 30 13:50:20 CEST 2018
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
> 2018-05-29 22:41 GMT+03:30 Justin Lemkul <jalemkul at vt.edu>:
>> On 5/29/18 3:08 PM, mostafa paknia wrote:
>>> 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:
>> 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
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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