Re: [gmx-users] Large number of solvent molecules

- >>> When the only tool you own is a hammer, every problem begins to resemble a >>> nail. >>> >>> >>>> -Original Message- >>>> From: gmx-users-boun...@gromacs.org [mailto:gmx-users- >>>>

Re: [gmx-users] Large number of solvent molecules

-boun...@gromacs.org [mailto:gmx-users- >>> boun...@gromacs.org] On Behalf Of Nikunj Maheshwari >>> Sent: Tuesday, 14 May 2013 3:04 PM >>> To: Discussion list for GROMACS users >>> Subject: [gmx-users] Large number of solvent molecules >>> >>>

Re: [gmx-users] Large number of solvent molecules

shwari > > Sent: Tuesday, 14 May 2013 3:04 PM > > To: Discussion list for GROMACS users > > Subject: [gmx-users] Large number of solvent molecules > > > > Dear all, > > > > I am trying to see the folding of a 89 aa peptide. So I am setting up > > the > &g

RE: [gmx-users] Large number of solvent molecules

:gmx-users- > boun...@gromacs.org] On Behalf Of Nikunj Maheshwari > Sent: Tuesday, 14 May 2013 3:04 PM > To: Discussion list for GROMACS users > Subject: [gmx-users] Large number of solvent molecules > > Dear all, > > I am trying to see the folding of a 89 aa peptide. So

[gmx-users] Large number of solvent molecules

Dear all, I am trying to see the folding of a 89 aa peptide. So I am setting up the system from linear conformation. I gave the following commands to build the box and add the solvent molecules. editconf -f output.gro -c -d 1.0 -bt dodecahedron -o outbox.gro genbox -cp outbox.gro -cs spc216.gro