[gmx-developers] Atom names in ffG53a6.rtp
alexxyum at gmail.com
Wed Jul 15 14:15:26 CEST 2009
Its not a good idea if i want to split pdb to chains or something else.
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.
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Alexey 'Alexxy' Shvetsov
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru
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