VMD-L Mailing List

From: Peterson J (peterson.jjjj_at_gmail.com)
Date: Fri Jun 28 2013 - 22:06:56 CDT

Hi Everyone.

I have problem re-simulating my system from my previous simulation.
Actually I want to remove a set of residues from my protein part and use
the same psf to continue running the simulation since I dont want to spend
long time on equilbrating the system once again.

I tried many ways but since the atom numbers are different I couldn't use
the same old psf files. I also divided all my segments and generating the
psfs for all segments and try putting them together but the water and lipid
molecules (which are added as various segments) have problem because of
their same residue numbers with the protein.

Any solution to this?

-Peterson