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 <jalem...@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
jalem...@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
jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
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