CHARMM Development Project Forums User Discussion & Questions Energy terms, Constraints, Restraints, and Solvation size of solvation box

You must be employed by someone. You mean you have a supervisor but they know nothing about this field? Or you're doing this at home as a hobby?

I got a Ph.D degree from my boss who's major is vibrational spectroscopy 3 years ago, and I'm running my own lab in a university. So right now, I am my supervisor.

Sorry for the rant ahead, but it bothers me that there are so many physics, organic chemistry and molecular biology PIs who decide they want to do a little bit of "molecular modeling" at the side. This might have been possible 30 years ago, when the field was in its infancy, but since then, it has become a branch of science in its own right. A molecular biologist is not going to buy a set of glassware, evaporators, IR spectrometer etc., give them to a grad student that had good grades in chemistry and expect them to synthesize molecules. Neither is an organic chemist going to buy a PCR machine, equipment for southern blot,... and expect a grad student to be doing molecular genetics with them. What they're going to do if they want to diversify is either hire one or more senior postdocs with longstanding experience in the desired field, or go spend several months in an expert's lab themselves. Why do people think they can just buy a few computers, download software, and expect a person with little experience in this field to perform solid computational chemistry or biophysics with it?

Since I started here, we've had 2 young faculty members in the field spending several months in our lab. Afterwards, they were happy with the things they learned. Maybe you should consider doing something like that?

Kenno is unfortunately right - this is a fairly difficult field, with many complications and pitfalls. Much more difficult than e.g. quantum chemistry.

Yes, you are both right, fundamentals are the building blocks of fun. I was considering to become a postdoc (maybe too late now, I got Ph.D 3 years ago) or a research fellow in this field, but I am doubt that any group would like to take somebody in just for learning but not producing datas right away ?
maybe, I should prepare a CV to see if there is a chance for the improvement of MD skill.

The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel "for the development of multiscale models for complex chemical systems".

A lot of institutions and granting agencies have small grants that allow beginning faculty to visit another group for a few months to focus on learning new techniques. That's what the 2 people I talked about earlier did. You'd be bringing your own money and you'd be learning by doing, with a fair chance of a joint publication. This should make it moderately attractive for someone to host you.

Alternatively, channels like the CCL are overflowing with postdoc openings. Since you have experience beyond being a PhD student and you're already running a lab, I'd imagine you'd make a very competitive candidate; independent research skills are highly valued in postdocs. But of course, that would be a big change in direction for you.

Thank you kenno, I would think about it!
PS: is there any posible position in Prof. Alex's group ?

I don't know, you'd have to ask him. Right at this moment, I'm a bit doubtful, but generally spoken, people come and go and positions open and close. If he can't host you, there are plenty of other experts to try.

Martin Karplus is a theoretical chemist. He understands and predicts chemical processes..