Re: [gmx-users] Displacement of coordinates by an order of magnitude by pdb2gmx

2017-07-06 Thread Peter Stern
The pdb file is in Angstroms. Gromacs uses nanometers, thus the decrease by a factor of 10 -> 1nm = 10A Peter -Original Message- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Anna Lohning Sent: Friday,

[gmx-users] Displacement of coordinates by an order of magnitude by pdb2gmx

2017-07-06 Thread Anna Lohning
Hi I've looked all through the GROMACS documentation re actions of the PDB2GMX command but I cant' see a reference to why it appears to change the coordinates of the input .pdb file (basically decreasing them by an order of magnitude). Is this normal? When grepping out your docked ligands this