Re: [gmx-users] NME not found in rtp

2012-02-17 Thread Dialing Pretty
: Discussion list for GROMACS users Sent: Friday, 17 February 2012 10:44 PM Subject: Re: [gmx-users] NME not found in rtp On 17/02/2012 10:27 PM, francesca vitalini wrote: > Hi all! > I encounter this error while running pdb2gmx on GROMACS3.3.1 with > ffG53a6m il forcefield modifica

Re: [gmx-users] NME not found in rtp

2012-02-17 Thread Mark Abraham
On 17/02/2012 10:27 PM, francesca vitalini wrote: Hi all! I encounter this error while running pdb2gmx on GROMACS3.3.1 with ffG53a6m il forcefield modificato per la reverse transformation. Fatal error: Residue 'NME' not found in residue topology database I know I should add it to the .rtp file,

[gmx-users] NME not found in rtp

2012-02-17 Thread francesca vitalini
Hi all! I encounter this error while running pdb2gmx on GROMACS3.3.1 with ffG53a6m il forcefield modificato per la reverse transformation. Fatal error: Residue 'NME' not found in residue topology database I know I should add it to the .rtp file, but I don't know exactly how to do that, any help?