Hello,
Are there differences in the name convention of atom or residue between
input PDB file taken from RCSB and the one processed by pdb4amber and
packmol-memgen?
If there is some difference, will the differences persist as PDB files are
translated to CRD and TOP files?
I'm asking because I would like to do some analysis on the trajectory. And
many analysis packages require PDB rather than CRD/TOP as input files.
Best regards,
--
*Lê Thanh Hòa (Mr.)*
*Graduate student at International University, Vietnam National University *
*Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Viet Nam*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 15 2025 - 00:30:02 PDT
