[gmx-users] Polyethylene (PE) simulations in Gromacs - please!

[Chansoo Kim]

Dear Dr. Benkova and others:

I am C. Kim and trying to simulation polymer system.

Since I guessed that polyethylene (PE) is a simple system, it could be not
that hard to simulate it in Gromacs.
Trying to do, I have read Dr. Benkova's articles in gmx-users mailing list
to tackle my problems.
Sorry to say, I could not solve problems, so I am asking your help!

Actually I have used your files written in followings,

http://www.mail-archive.com/gmx-users@gromacs.org/msg12204.html

[Q1]
After getting the result from the pdb2gmx, I could not see any H-atoms in my
system.
All the H-atoms have 0, 0, 0 positions!
Therefore, my question is
   how I should define hdb?

[Q2]
When I use -C2, and +C1 in hdb file, I always meet error.
Is there any other things to add to the ffopls*.* files...?

Thank you for your care!


Sincerely

C. Kim
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090303/f54843dc/attachment.html>