[gmx-users] simulating only few residues from whole protein]

2013-03-19 Thread preetichoudhary
Original Message Subject: simulating only few residues from whole protein From:preetichoudh...@iisermohali.ac.in Date:Tue, March 19, 2013 10:45 am To: gmx-users@gromacs.org --

[gmx-users] [Fwd: implicit solvation]

2013-03-17 Thread preetichoudhary
Original Message Subject: implicit solvation From:preetichoudh...@iisermohali.ac.in Date:Fri, March 15, 2013 1:58 pm To: gmx-users@gromacs.org -- hi, I

[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