Manoj Kumar Singh wrote:
What if I want to restrain distance between two different molecules. I
tried this and getting error. I looked at some previous posts and didn't
find any solution to this. Some of them say it is limitation of Gromacs.
Since distance restraints are added to the topology of one molecule, I believe
than can only be applied intramolecularly.
-Justin
Is there any way I can put distance restraint between atoms of two
different molecules?
Thanks in advance!
Manoj
Manoj Kumar Singh wrote:
Hi,
I want to put distance based restrain between few pairs of atoms during
initial dynamics (along with Lincs on hbonds). I don't know how can I do
this.
Section 4.3.4 of the manual is probably a good start.
-Justin
I will highly appreciate any suggestion.
Manoj
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========================================
Justin A. Lemkul
Graduate Research Assistant
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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========================================
Justin A. Lemkul
Graduate Research Assistant
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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