ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3998 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-04-14 15:35:27 +00:00
parent 1bd62084ae
commit 3922a1ac19
6 changed files with 27 additions and 26 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
doc/Section_howto.txt
View File

@ -398,7 +398,7 @@ K of HOH angle = 55
theta of HOH angle = 104.52 :all(b),p
These are the parameters to use for TIP3P with a long-range Coulombic
solver (Ewald or PPPM in LAMMPS):
solver (Ewald or PPPM in LAMMPS), see "(Price)"_#Price for details:
O mass = 15.9994
H mass = 1.008 :all(b),p
@ -1441,3 +1441,6 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
:link(Jorgensen)
[(Jorgensen)] Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem
Phys, 79, 926 (1983).
:link(Price)
[(Price)] Price and Brooks, J Chem Phys, 121, 10096 (2004).