Re: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

using? cMAP is implemented in v4.5 or >> later >> Jianguo >> >> -- >> *From:* César Ávila >> *To:* Discussion list for GROMACS users >> *Sent:* Sunday, 9 October 2011 12:07 AM >> *Subject:* [gmx-users] CMAP for alanine dipeptide in Charmm27 ff >

Re: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

Jianguo *From:* César Ávila mailto:clav...@gmail.com>> *To:* Discussion list for GROMACS users mailto:gmx-users@gromacs.org>> *Sent:* Sunday, 9 October 2011 12:07 AM *Subject:* [gmx-users] CMAP for alanine dipeptide in

Re: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

After checking the topology of my peptide, I found that every term in the cMAP section involve three consecutive residues. So I guess no cMAP term is required for di-ALA.    Jianguo --- On Mon, 10/10/11, César Ávila wrote: From: César Ávila Subject: Re: [gmx-users] CMAP for alanine

Re: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

MAP is implemented in v4.5 or later > Jianguo > > -- > *From:* César Ávila > *To:* Discussion list for GROMACS users > *Sent:* Sunday, 9 October 2011 12:07 AM > *Subject:* [gmx-users] CMAP for alanine dipeptide in Charmm27 ff > > I would like

Re: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff

which gromacs version are you using? cMAP is implemented in v4.5  or later Jianguo From: César Ávila To: Discussion list for GROMACS users Sent: Sunday, 9 October 2011 12:07 AM Subject: [gmx-users] CMAP for alanine dipeptide in Charmm27 ff I would like to

[gmx-users] CMAP for alanine dipeptide in Charmm27 ff

I would like to run REMD simulations on the alanine dipeptide using the Charmm27ff + CMAP. Still, after processing the pdb with pdb2gmx, I do not see any entrance referring to the cmap term in the topology file. Does this mean that Cmap won't be calculated? -- gmx-users mailing listgmx-users@g