Please keep all Gromacs-related correspondence on the gmx-users list. I am not
a private tutor. I am CC'ing the message there and would ask that any future
correspondence be conducted there.
You're providing an energy file while changing your thermostat. grompp expects
that all energy terms wi
abhijit kayal wrote:
Hi
As you said I generated a pdb file of n-butane in PRODRG . I am
executing following command.
pdb2gmx -f ALA.pdb -p ALA.top -o ALA.gro
It is successfully working on amino acid residue.
But when i am executing for butane.
pdb2gmx -f BUTANE.pdb -p BUTANE.t
[EMAIL PROTECTED] wrote:
> Dear Mark:
>
> thanks for your help.
>
> My topology file "trp.top" have included "ions.itp" and I think its
>
> contents
> match the topology file as far as atom and molecule names.what's
It also needs to match the force field files you're using.
> more,"trp.top" a
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