[gmx-users] Problem on processing proteins consisting of two chains
chuanmingwang at hotmail.com
Wed Nov 26 07:06:02 CET 2003
I am a new user of Gromacs.I am trying to do a simulation on a protein
which consists of two chains(A and B) like HIV PR.Unfortunately, the two
chains got far away from each other. I found that two itp
files(protein_A.itp and protein_B.itp) were generated after using pdb2gmx.
It seems that Gromacs recognizes the two chains as different proteins,but
they belong to the same molecule indeed.
How can I resolve the problem? Your experiences on Gromacs will helful
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