[gmx-users] pdb2gmx problem
alexander yakovenko
yakovenko_a at ukr.net
Wed Sep 4 16:20:47 CEST 2002
Hi All,
I have the next problem. I try to make the topology of the nonprotein molecule with 143 atoms. I found that pdb2gmx add some bonds which were not stored in rtp file, and some atoms leave separate. I check the topology manually (rtp file) and haven t fount any separated atoms in rtp.
Why pdb2gmx add and remove some bonds automatically?
Is my molecule too large?
Thank you,
Alexander Yakovenko
Institute of Molecular Biology & Genetic of NAS of Ukraine
03143
acad.Zabolotnogo str. 150
Kiev
Ukraine
______________________________________________
E-mail: yakovenko_a at ukr.net
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