Justin A. Lemkul wrote:
[email protected] wrote:
Hi Justin,
I am using version 3.3.3 and read through the version 3.3 manual but do
not see an option to set "pbc = full" in this manual. I only see
options to set pbc to "xyz" or "no". Will setting pbc=full be
recognized in GROAMCS version 3.3.3 and will this solve my problem?
Yes, it will. I don't know why it was never in the documetation.
I should amend that. Yes, the option will be recognized. It is probably in
line with what you need for an infinite molecule. No guarantees that anything
will work just because I say it will, although that would be so very
convenient... :)
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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