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<P>Dear users:</P>
<P> </P>
<P>I am very strange with the concept of triclinic, so I need your instruction
for the choice of my simulation box.</P>
<P> </P>
<P>In my current system, the lengths of a b c are respectively
5.0, 5.0, 10.0nm, and the angles between bc, ac, ab are 90,
90 and 120 degrees. Because of my misunderstanding of triclinic, maybe,
the following steps are somewhat wrong, can you help me to point them out?</P>
<P> </P>
<P>1. editconf -f mole.gro -o out.gro <STRONG>-bt tric</STRONG> -box
5 5 10 -angles 90 90 120 -c</P>
<P>Should I use the option "-bt tric" here? If not triclinic, possibly, "-bt
tric" is wrong.</P>
<P> </P>
<P>2. genbox -cp out -cs -p topol.top -o b4em.gro</P>
<P> </P>
<P>3. grompp -v -f em -c b4em -p topol -o box.tpr</P>
<P> </P>
<P>4.trjconv -f b4em.gro -s box.tpr -o b4em2.gro<STRONG> -ur tric -pbc
inbox ----</STRONG> for visualization only.</P>
<P><STRONG>What should my choice for options "-ur & -pbc" in this
case?</STRONG></P>
<P><STRONG></STRONG> </P>
<P>Urgent equiry and any help will be greatly apprieciated.</P>
<P> </P>
<P> </P>
<P>Xie Yinghong</P>
<P>Hong Kong University</P></BODY></HTML>