Re: [gmx-users] implicit solvent simulation in gromacs

2010-04-28 Thread XAvier Periole
Implicit solvent are still not available in gromacs. Using 43a1 FF is fine, except with implicit solvent! Or you should have one compatible with it! On Apr 28, 2010, at 6:27 PM, Chanchal wrote: Hi All, I want to perform MD simulation of a protein in implicit solvent using gromacs 4.0.7. I

Re: [gmx-users] implicit solvent simulation in gromacs

2010-04-28 Thread Justin A. Lemkul
Chanchal wrote: Hi All, I want to perform MD simulation of a protein in implicit solvent using gromacs 4.0.7. I looked into the manual but did not get any information regarding the implicit solvent. Is it avilable in gromacs? I searched in the mailing list and found someone in older mail s

[gmx-users] implicit solvent simulation in gromacs

2010-04-28 Thread Chanchal
Hi All, I want to perform MD simulation of a protein in implicit solvent using gromacs 4.0.7. I looked into the manual but did not get any information regarding the implicit solvent. Is it avilable in gromacs? I searched in the mailing list and found someone in older mail said its not avilable. I