On 1/10/19 10:51 AM, ABEL Stephane wrote:
Thank you Mark,
With your example, I have finally resolved my problem and finally found that
the dihedral restraints were not actived in my simulations :((
If someone is interested to know how I did for resolving my problem especially when you use the files generated by CHARMM-GUI for GROMACS, do not hesitate to contact me directly
Posting directly to the list with your solution would be greatly
appreciated, so that when someone Googles this same question in the
future, they will immediately have their answer.
-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.
