[gmx-users] cutoffs/PME

Andrey V Golovin golovin at genebee.msu.su
Fri Sep 12 11:46:01 CEST 2003

Dear T.,

Thursday, September 11, 2003, 5:46:18 PM, you wrote:

TZ>  hi all,

TZ> i wonder if someone can give me references where GROMOS and/or GROMACS ff
TZ> were used and the influence of different cutoffs on a lipid
TZ> bilayer properties (like area per lipid, Scd... ) were studied??

Actually a tried to assemble bilayer from random lipid mixture with
PME and Cutt-off and only using PME a was successful. I used FF params
from tielman site. Yes probably you right it could be FF depended BUT
i think it's much better to use PME in membrane simulations.

Best regards,
 Andrey                            mailto:golovin at genebee.msu.su

More information about the gromacs.org_gmx-users mailing list