Re: [gmx-users] sovation with tip3p

2012-07-11 Thread Peter C. Lai
rds, > Amir > > > Subject: [gmx-users] sovation with tip3p > > Hi all, > > I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . > In this step, the solvation is accomplished through this command: > genbox -cp 1AKI_newbox.gro -cs spc216.gro

Re: [gmx-users] sovation with tip3p

2012-07-11 Thread Justin A. Lemkul
On 7/11/12 5:36 AM, Shima Arasteh wrote: Hi all, I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this step, the solvation is accomplished through this command: genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top in which that spc216.gro is used. I

Re: [gmx-users] sovation with tip3p

2012-07-11 Thread amir abbasi
to pick second way. Regards, Amir Subject: [gmx-users] sovation with tip3p Hi all, I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this step, the solvation is accomplished through this command: genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p top

[gmx-users] sovation with tip3p

2012-07-11 Thread Shima Arasteh
Hi all, I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this step, the solvation is accomplished through this command: genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top in which that spc216.gro is used. In first step I had used the TIP3P water mode