<HTML><FONT FACE=arial,helvetica><FONT COLOR="#000000" FACE="Geneva" FAMILY="SANSSERIF" SIZE="2">Hello fellows,<BR>
<BR>
Thank you for replying to my email, but I need some clarification on the calculation of the Coulomb (LR). Does Coulomb (LR) go by an another name? The following are the selections that g_energy gives to the user. <BR>
<BR>
Select the terms you want from the following list<BR>
End your selection with 0<BR>
1= Angle 2= Proper Dih. 3= Improper Dih. 4= LJ-14<BR>
5= Coulomb-14 6= LJ (SR) 7= Coulomb (SR) 8= Potential<BR>
9= Kinetic En. 10= Total Energy 11= Temperature 12=Pressure (bar)<BR>
13= Vir-XX 14= Vir-XY 15= Vir-XZ 16= Vir-YX<BR>
17= Vir-YY 18= Vir-YZ 19= Vir-ZX 20= Vir-ZY<BR>
21= Vir-ZZ 22= Pres-XX (bar) 23= Pres-XY (bar) 24= Pres-XZ (bar)<BR>
25= Pres-YX (bar) 26= Pres-YY (bar) 27= Pres-YZ (bar) 28= Pres-ZX (bar)<BR>
29= Pres-ZY (bar) 30= Pres-ZZ (bar) 31= #Surf*SurfTen 32= Mu-X<BR>
33= Mu-Y 34= Mu-Z 35= T-Protein 36= Lamb-Protein<BR>
37= T-SOL 38= Lamb-SOL 39= T-HEME 40= Lamb-HEME<BR>
41= T-OO 42= Lamb-OO 43= T-PAR 44= Lamb-PAR<BR>
<BR>
I apologize, it is probably missing something, but I need to figure this out. <BR>
<BR>
Thank you for the replying,<BR>
David</FONT><FONT COLOR="#000000" FACE="Geneva" FAMILY="SANSSERIF" SIZE="2"></FONT></HTML>