Sweta Iyer wrote:
Hi,
I am trying to insert my protein dimer complex in a membrane using the
g_membed tool.
I made an index group where I saved the monomers as separate groups and
mentioned the same groups in the .mdp file.
This should not be necessary. If both are protein, then they belong to the
"Protein" default group and no such index group is required.
However, it gives me an error saying "Freeze value does not match :There
are 2 freeze groups and 3 freeze values"
Without seeing your .mdp settings, it is hard to say what is wrong. The manual
explains how to use the freezegrps and freezedim keywords properly:
http://manual.gromacs.org/online/mdp_opt.html#neq
-Justin
______________________________________________________________________
The information in this email is confidential and intended solely for the
addressee.
You must not disclose, forward, print or use it without the permission of the
sender.
______________________________________________________________________
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
