On 11/10/19 4:53 AM, Dave M wrote:
Hi Justin,
I just found that using bond type 6 (instead of 1) works for my test
models. So something like this in top file works fine which is bit neat and
easier to handle for multiple molecules (compared to pull code).
[intermolecular_interactions]
[ bonds ]
1 158 6 0.4 1000
Just thought to reply what worked for me for future users.
Excellent; thanks for reporting back!
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
==================================================
--
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-requ...@gromacs.org.
