Dear Amber community,
I have installed Amber9 for the first time using ifortx86_64 and intel's mkl library on PC-Linux SUSE 10.0. After the installation, execution of sander gave me the following error message:
sander: error while loading shared libraries: libvml.so: cannot open shared object file: No such file or directory
Could someone please let me know how to troubleshoot this libvml.so problem.
best regards,
jenk.
Thomas Cheatham <tec3.utah.edu> wrote:
> What I would like to know is whether or not the following ptraj input
> command is OK to determine the phase angles of ribose sugar residue 1
> taking the dihedral angle about C2'-C3' as the bases and the O4' atom as
> the fifth atom to constitute a pseudorotational angle.
>
> Here is my ptraj input :
>
> traj.in dna.binpos
> pucker res1 :1.C1' :1.C2' :1.C3' :1.C4' :1.O4' out phaseangle.out time 0.2
Yes, this is what I routinely do...
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Received on Sun Oct 22 2006 - 06:07:16 PDT
