- Posts: 1
polymer parametrization
- martina
-
Topic Author
- Offline
- Fresh Boarder
Less
More
13 years 9 months ago #382
by martina
polymer parametrization was created by martina
Hi,
I have some problems with the parametrization of peg / peo. I'm simulating a system with bilayer (neutral or charged lipids)in presence of salt, calcium, water and peg or peo (I tryed both systems). If I increase the concentration of the polymer (from 10% to 20%, considering either attractive or semiattractive interactions) i obtain segmentation fault.
do you have any suggestion or any reference?
cheers
I have some problems with the parametrization of peg / peo. I'm simulating a system with bilayer (neutral or charged lipids)in presence of salt, calcium, water and peg or peo (I tryed both systems). If I increase the concentration of the polymer (from 10% to 20%, considering either attractive or semiattractive interactions) i obtain segmentation fault.
do you have any suggestion or any reference?
cheers
Please Log in or Create an account to join the conversation.
- xavier
-
- Offline
- Admin
Less
More
- Posts: 416
13 years 2 months ago #571
by xavier
Dear Martina,
Our apologies for the delay in answering. a few post have been hidden by the server for some time.
Regarding your post and if still a matter, you should have a look at the paper:
A Coarse-Grained Model for Polyethylene Oxide and Polyethylene Glycol: Conformation and Hydrodynamics
Author(s): Lee, H; de Vries, AH; Marrink, SJ, et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 113 Issue: 40 Pages: 13186-13194 Published: 2009
Replied by xavier on topic polymer parametrization
martina wrote: Hi,
I have some problems with the parametrization of peg / peo. I'm simulating a system with bilayer (neutral or charged lipids)in presence of salt, calcium, water and peg or peo (I tryed both systems). If I increase the concentration of the polymer (from 10% to 20%, considering either attractive or semiattractive interactions) i obtain segmentation fault.
do you have any suggestion or any reference?
cheers
Dear Martina,
Our apologies for the delay in answering. a few post have been hidden by the server for some time.
Regarding your post and if still a matter, you should have a look at the paper:
A Coarse-Grained Model for Polyethylene Oxide and Polyethylene Glycol: Conformation and Hydrodynamics
Author(s): Lee, H; de Vries, AH; Marrink, SJ, et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 113 Issue: 40 Pages: 13186-13194 Published: 2009
Please Log in or Create an account to join the conversation.
Time to create page: 0.088 seconds