subject:"\[gmx\-users\] TFE solvent box"

Re: [gmx-users] TFE solvent box

2006-12-20 Thread chiradip chatterjee

I think replace HO by OA chiradip --- [EMAIL PROTECTED] wrote: > Hi all, > > We want to create and simulate a solvent box > containing TFE. We have > already generated the TFE.gro file, and by using > this file we created > a box containing 38 molecules of TFE (TFE_solv.gro). > We created a

Re: [gmx-users] TFE solvent box

2006-12-20 Thread David van der Spoel

[EMAIL PROTECTED] wrote: Hi all, We want to create and simulate a solvent box containing TFE. We have already generated the TFE.gro file, and by using this file we created a box containing 38 molecules of TFE (TFE_solv.gro). We created a file TFE.top including the tfe topology (using tfe.itp,

[gmx-users] TFE solvent box

2006-12-20 Thread correafe

Hi all, We want to create and simulate a solvent box containing TFE. We have already generated the TFE.gro file, and by using this file we created a box containing 38 molecules of TFE (TFE_solv.gro). We created a file TFE.top including the tfe topology (using tfe.itp, provided by GROMACS)