Re: [gmx-users] implicit solvation

2013-03-15 Thread Mark Abraham
On Fri, Mar 15, 2013 at 9:28 AM, wrote: > hi, > I am trying to simulate a 50 residue protein in implicit water.Can anyone > tell me that why we usually set the cuttoff to be 0. > See pbc = no in chapter 7. > coulombtype = Cut-off > vdwtype = Cut-off > nstype = grid > nstlist = 0 > rlist = 0 >

[gmx-users] implicit solvation

2013-03-15 Thread preetichoudhary
hi, I am trying to simulate a 50 residue protein in implicit water.Can anyone tell me that why we usually set the cuttoff to be 0. coulombtype = Cut-off vdwtype = Cut-off nstype = grid nstlist = 0 rlist = 0 rcoulomb = 0 rvdw = 0. I HAVE SEEN THAT PEOPLE KEEP NO CONSTRAINTS ON THE SYSTEM.Can you exp

Re: [gmx-users] Implicit solvation

2011-10-17 Thread bipin singh
Check the below link: http://www.gromacs.org/Documentation/Terminology/Implicit_Solvent On Mon, Oct 17, 2011 at 13:47, Soumya Lipsa Rath wrote: > I am a new gromacs user. I wanted to simulate a membrane protein without the > lipid bilayer using the IMM1 force field of CHARMM27. I really would > a

[gmx-users] Implicit solvation

2011-10-17 Thread Soumya Lipsa Rath
I am a new gromacs user. I wanted to simulate a membrane protein without the lipid bilayer using the IMM1 force field of CHARMM27. I really would appreciate if someone can help me solve this or direct me towards implicit solvation tutorial in gromacs Regards, Soumya ** -- gmx-users mailing list