[gmx-users] TFE-water simulation
ask.archana at gmail.com
Wed Jul 17 07:03:31 CEST 2013
I want to simulate helical peptide in TFE-water (1:1 vol) solvent.
1. From previous searches, I got to know that tfe.itp is present in
gmx.ff folder. Can I use this itp file by including it in my top file
generated during pdb2gmx.
2. I also got TFE-water (1:1 vol) pdb and gro pre-equilibrated system
from ATB site. I dont know if I can use either this pdb or gro file
during genbox step for -cs flag
Can anyone help me out in this regard.
Thanks in advance.
Senior Research Fellow,
Biomedical Informatics Centre,
NIRRH (ICMR), Parel
More information about the gromacs.org_gmx-users