[gmx-developers] Atom names in ffG53a6.rtp

[Justin A. Lemkul]

Alexey Shvetsov wrote:
> Its not a good idea if i want to split pdb to chains or something else.
> 

You could simply change the atom names in the .rtp file to something that 
actually fits, for those atoms that are too long.

-Justin

> 2009/7/15 Mark Abraham <Mark.Abraham at anu.edu.au>:
>> Alexey Shvetsov wrote:
>>> Hi all!
>>> Seems there is some problem with atom names for some rtp entrys in
>>> ffG53a6.rtp (for example for ATP) because atom names in pdb file
>>> cannot be longer then 4 symbols while ATP rtp entry has some names
>>> which are 5 symbols long
>>> so in this case i cannot create toplogy from PDB file with pdb2gmx.
>> Convert the .pdb file to some other more accommodating format (.gro?) with
>> editconf -f in.pdb -o out.gro, before using it as input to pdb2gmx.
>>
>> Mark
>> _______________________________________________
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>> Please don't post (un)subscribe requests to the list. Use the www interface
>> or send it to gmx-developers-request at gromacs.org.
>>
> 
> 
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================