RE: [gmx-users] Residue abbreviation list with explanations

> And what is my current issue is? What should I replace the residue name with? Ultimately, what ever you want to. From the name of the file, it seems like it is formaldehyde, which is a small molecule, and from the link I provide you the residue name used for it is FLH. So, convention wise, tha

Re: [gmx-users] Residue abbreviation list with explanations

And this is what I found there: see if there is a different name being used for the residue in the residue database and rename as appropriate, Mark Abraham <[EMAIL PROTECTED]> wrote: Sagittarius wrote: > Dear Gromacs users, > > Could you please help me to find a Residue abbreviation lis

RE: [gmx-users] Residue abbreviation list with explanations

And what is my current issue is? What should I replace the residue name with? "Dallas B. Warren" <[EMAIL PROTECTED]> wrote: > > Could you please help me to find a Residue abbreviation list web site. If you want to find out what people are calling a particular molecule or residue, best place t

RE: [gmx-users] Residue abbreviation list with explanations

> > Could you please help me to find a Residue abbreviation list web site. If you want to find out what people are calling a particular molecule or residue, best place to look is the PDB Database. If it is a small molecule, then http://alpha2.bmc.uu.se/hicup/ is a good place to look. However, a

Re: [gmx-users] Residue abbreviation list with explanations

Sagittarius wrote: Dear Gromacs users, Could you please help me to find a Residue abbreviation list web site. I need to replace UNK below with something meaningful. formaldehyde.pdb looks like this: COMPNDUNNAMED REMARK 1 PDB to MMOD