[gmx-users] Tyrosine problems again

2008-07-31 Thread chris . neale
Roll back to gcc 3.x. There is information available that says something like "don't use gcc 4.x, it is broken", but I stand by my previous comments that it is unfortunate that it is up to the end user to search the gromacs archives to find this out, not withstanding that it is a gcc-based

[gmx-users] Tyrosine problems again

2008-07-31 Thread chris . neale
Is there really no way to ensure that the compilation was 'successful' during the configure/make/make install procedure? While a compiler problem is technically not a gromacs problem in that it is not an error of the gromacs developers, I think that this is still something that deserves to

[gmx-users] Tyrosine problems again

2008-07-31 Thread David Chan
In the configuration log when I installed gromacs it indicates I'm using gcc version 4.3.0 20080428 (Red Hat 4.3.0-8). The log also shows lines of: checking dependency style of cc result: gcc3 Sorry, I don't know much about compilers etc; is this the answer you were looking for? David dicha

Re: [gmx-users] Tyrosine problems again

2008-07-31 Thread David van der Spoel
[EMAIL PROTECTED] wrote: Hi everyone I am having trouble (again) with my tyrosine residue. For some reason during early steps of my simulation, the ring of the tyrosine residue does not remain planar but rather is distorted - enough at times to look like a chair conformation. Earlier I thought t

[gmx-users] Tyrosine problems again

2008-07-31 Thread dichan
Hi everyone I am having trouble (again) with my tyrosine residue. For some reason during early steps of my simulation, the ring of the tyrosine residue does not remain planar but rather is distorted - enough at times to look like a chair conformation. Earlier I thought this was a vsite=aromatics i