subject:"\[gmx\-users\] Reg dimers"

Re: [gmx-users] Reg dimers

2012-07-09 Thread Ramya LN

Thanks a lot Justin On Mon, Jul 9, 2012 at 7:21 PM, Justin A. Lemkul wrote: > > > On 7/9/12 9:48 AM, Ramya LN wrote: >> >> Dear all, >> I have done protein-ligand dynamics.I got the final gro file.When >> converted to PDB, i observed that my active site has ligand but two >> chains of teh protein

Re: [gmx-users] Reg dimers

2012-07-09 Thread Justin A. Lemkul

On 7/9/12 9:48 AM, Ramya LN wrote: Dear all, I have done protein-ligand dynamics.I got the final gro file.When converted to PDB, i observed that my active site has ligand but two chains of teh protein got separated. What might be the reason for this?should i consider this as an error in my simu

[gmx-users] Reg dimers

2012-07-09 Thread Ramya LN

Dear all, I have done protein-ligand dynamics.I got the final gro file.When converted to PDB, i observed that my active site has ligand but two chains of teh protein got separated. What might be the reason for this?should i consider this as an error in my simulation???kindly help me in this regard.